heptan-3-ol

C7H16O — CID 11520

IUPACheptan-3-ol
SMILESCCCCC(O)CC
InChIInChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyRZKSECIXORKHQS-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.95
Rot. Bonds4

About heptan-3-ol

heptan-3-ol (PubChem CID 11520) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is heptan-3-ol.

Molecular Properties

Compound Nameheptan-3-ol
PubChem CID11520
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Nameheptan-3-ol
SMILESCCCCC(O)CC
InChIInChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyRZKSECIXORKHQS-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Octanol
CID 20083
Heptanol
CID 8129
2-Hexanol
CID 12297
2-Heptanol
CID 10976
3-Hexanol
CID 12178
(+-)-2-Undecanol
CID 15448
3-Octanol
CID 11527
3-Decanol
CID 519158
2-Nonanol
CID 12367
3-Nonanol
CID 12216
(R)-2-Octanol
CID 80080
(+)-2-Octanol
CID 2723888

Frequently Asked Questions

What is the IUPAC name of heptan-3-ol?
The IUPAC name of heptan-3-ol (CID 11520) is heptan-3-ol.
What is the SMILES notation for heptan-3-ol?
The canonical SMILES for heptan-3-ol is CCCCC(O)CC.
What is the InChIKey of heptan-3-ol?
The InChIKey is RZKSECIXORKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of heptan-3-ol?
heptan-3-ol has a molecular weight of 116.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-ol is sourced from PubChem (CID 11520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).