(4S)-hept-1-en-4-ol

C7H14O — CID 6993374

IUPAC(4S)-hept-1-en-4-ol
SMILESC=CC[C@@H](O)CCC
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyAQTUHJABKZECGA-SSDOTTSWSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds4

About (4S)-hept-1-en-4-ol

(4S)-hept-1-en-4-ol (PubChem CID 6993374) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (4S)-hept-1-en-4-ol.

Molecular Properties

Compound Name(4S)-hept-1-en-4-ol
PubChem CID6993374
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(4S)-hept-1-en-4-ol
SMILESC=CC[C@@H](O)CCC
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyAQTUHJABKZECGA-SSDOTTSWSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S)-hept-1-en-4-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

1-Hexen-3-Ol
CID 20928
1-Hepten-3-OL
CID 21057
Hepta-1,6-dien-4-ol
CID 17902
1-Hepten-4-ol
CID 19040
4-Penten-2-OL
CID 12247
5-Hexen-2-ol
CID 41170
3-Cyclohexen-1-ol
CID 556685
7-Octen-4-OL
CID 40923
1-Octen-4-ol
CID 142471
4-Penten-2-ol, 4-methyl-
CID 102730
(S)-(+)-4-Penten-2-ol
CID 6994332
(2R)-pent-4-en-2-ol
CID 6999724

Frequently Asked Questions

What is the IUPAC name of (4S)-hept-1-en-4-ol?
The IUPAC name of (4S)-hept-1-en-4-ol (CID 6993374) is (4S)-hept-1-en-4-ol.
What is the SMILES notation for (4S)-hept-1-en-4-ol?
The canonical SMILES for (4S)-hept-1-en-4-ol is C=CC[C@@H](O)CCC.
What is the InChIKey of (4S)-hept-1-en-4-ol?
The InChIKey is AQTUHJABKZECGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of (4S)-hept-1-en-4-ol?
(4S)-hept-1-en-4-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-hept-1-en-4-ol is sourced from PubChem (CID 6993374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).