(3R)-hexane-1,3-diol

C6H14O2 — CID 11159317

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

About (3R)-hexane-1,3-diol

(3R)-hexane-1,3-diol (PubChem CID 11159317) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3R)-hexane-1,3-diol.

Molecular Properties

Compound Name(3R)-hexane-1,3-diol
PubChem CID11159317
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(3R)-hexane-1,3-diol
SMILESCCC[C@@H](O)CCO
InChIInChI=1S/C6H14O2/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyAVIYEYCFMVPYST-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

1,3-Butanediol
CID 7896
1-Hexanol
CID 8103
1,6-Hexanediol
CID 12374
2-Hexanol
CID 12297
2-Heptanol
CID 10976
3-Hexanol
CID 12178
(-)-1,3-Butanediol
CID 637497
2,4-Pentanediol
CID 12262
(+)-1,3-Butanediol
CID 446973
2,5-Hexanediol
CID 18049
1,2-Hexanediol
CID 94335
1,5-Hexanediol
CID 79126

Frequently Asked Questions

What is the IUPAC name of (3R)-hexane-1,3-diol?
The IUPAC name of (3R)-hexane-1,3-diol (CID 11159317) is (3R)-hexane-1,3-diol.
What is the SMILES notation for (3R)-hexane-1,3-diol?
The canonical SMILES for (3R)-hexane-1,3-diol is CCC[C@@H](O)CCO.
What is the InChIKey of (3R)-hexane-1,3-diol?
The InChIKey is AVIYEYCFMVPYST-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14O2/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-hexane-1,3-diol?
(3R)-hexane-1,3-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 (3R)-hexane-1,3-diol is sourced from PubChem (CID 11159317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).