(3S)-hexan-3-ol

C6H14O — CID 638098

IUPAC(3S)-hexan-3-ol
SMILESCCC[C@@H](O)CC
InChIInChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZOCHHNOQQHDWHG-LURJTMIESA-N
MW102.18 g/mol
LogP1.56
Rot. Bonds3

About (3S)-hexan-3-ol

(3S)-hexan-3-ol (PubChem CID 638098) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is (3S)-hexan-3-ol.

Molecular Properties

Compound Name(3S)-hexan-3-ol
PubChem CID638098
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name(3S)-hexan-3-ol
SMILESCCC[C@@H](O)CC
InChIInChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZOCHHNOQQHDWHG-LURJTMIESA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-hexan-3-ol?
The IUPAC name of (3S)-hexan-3-ol (CID 638098) is (3S)-hexan-3-ol.
What is the SMILES notation for (3S)-hexan-3-ol?
The canonical SMILES for (3S)-hexan-3-ol is CCC[C@@H](O)CC.
What is the InChIKey of (3S)-hexan-3-ol?
The InChIKey is ZOCHHNOQQHDWHG-LURJTMIESA-N. The full InChI is InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-hexan-3-ol?
(3S)-hexan-3-ol has a molecular weight of 102.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-hexan-3-ol is sourced from PubChem (CID 638098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).