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Periodic Table/Compounds/Water

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© Melvin Olsson 2025–2026
Data: IAEA & PubChem

Water

H₂O·18.015 g/mol·Inorganic·CID 962
EssentialSolvent

The most abundant compound on Earth's surface and the universal solvent essential for all known life. Its bent molecular geometry and hydrogen bonding give it anomalous properties like high boiling point and surface tension.

IUPAC: oxidane

2D structure of Water

Molecular Structure

Molecular Propertiesmass · H-bonds · stereo

Molecular Weight

18.015g/mol

Exact Mass

18.010565Da

Monoisotopic Mass

18.010565Da

XLogP

-0.5

Polar Surface Area

1.0Ų

Complexity

0

Formal Charge

0

H-Bond Donors

1

H-Bond Acceptors

1

Rotatable Bonds

0

Heavy Atoms

1

Stereo Centers

0

Bond Stereo

0

Drug-Likeness (Lipinski's Rule of Five)

✓ 18.0 g/mol
MW ≤ 500
✓ -0.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10

Passes all rules — good oral bioavailability predicted

GHS Hazard Classification

Warning
Irritant
Irritant
Hazards
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Source: PubChem GHS Classification. Always consult the SDS for handling.

Chemical IdentifiersSMILES · InChI

InChI

InChI=1S/H2O/h1H2

Constituent Elements

H
HydrogenZ=1
O
OxygenZ=8

Isomers8 compounds with formula H₂O

2D structure of deuterated water

deuterated water

CID 24602 · 20.0 g/mol

2D structure of hydron hydroxide

hydron hydroxide

CID 22247451 · 18.0 g/mol

2D structure of CID 104752

CID 104752

CID 104752 · 22.0 g/mol

2D structure of oxidane

oxidane

CID 10129877 · 17.0 g/mol

2D structure of oxidane

oxidane

CID 105142 · 20.0 g/mol

2D structure of CID 139859

CID 139859

CID 139859 · 19.0 g/mol

2D structure of CID 6914120

CID 6914120

CID 6914120 · 20.0 g/mol

2D structure of oxidane

oxidane

CID 10214376 · 18.0 g/mol

External Resources

PubChem ↗Wikipedia ↗