(2R)-hexane-1,2-diol

C6H14O2 — CID 7058118

IUPAC(2R)-hexane-1,2-diol
SMILESCCCC[C@@H](O)CO
InChIInChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyFHKSXSQHXQEMOK-ZCFIWIBFSA-N
MW118.18 g/mol
LogP0.53
Rot. Bonds4

About (2R)-hexane-1,2-diol

(2R)-hexane-1,2-diol (PubChem CID 7058118) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R)-hexane-1,2-diol.

Molecular Properties

Compound Name(2R)-hexane-1,2-diol
PubChem CID7058118
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(2R)-hexane-1,2-diol
SMILESCCCC[C@@H](O)CO
InChIInChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyFHKSXSQHXQEMOK-ZCFIWIBFSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hexanol
CID 12297
1,2-Butanediol
CID 11429
1,2-Pentanediol
CID 93000
1,2,6-Hexanetriol
CID 7823
trans-1,2-Cyclohexanediol
CID 92886
2,5-Hexanediol
CID 18049
cis-1,2-Cyclohexanediol
CID 92903
1,2-Hexanediol
CID 94335
2,3-Pentanediol
CID 123505
1,5-Hexanediol
CID 79126
1,2-Cyclohexanediol
CID 13601
2,5-Hexanediol, (2S,5S)-
CID 6950288

Frequently Asked Questions

What is the IUPAC name of (2R)-hexane-1,2-diol?
The IUPAC name of (2R)-hexane-1,2-diol (CID 7058118) is (2R)-hexane-1,2-diol.
What is the SMILES notation for (2R)-hexane-1,2-diol?
The canonical SMILES for (2R)-hexane-1,2-diol is CCCC[C@@H](O)CO.
What is the InChIKey of (2R)-hexane-1,2-diol?
The InChIKey is FHKSXSQHXQEMOK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-hexane-1,2-diol?
(2R)-hexane-1,2-diol has a molecular weight of 118.18 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-hexane-1,2-diol is sourced from PubChem (CID 7058118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).