(4S)-oct-7-en-2-yn-4-ol

C8H12O — CID 11177252

IUPAC(4S)-oct-7-en-2-yn-4-ol
SMILESC=CCC[C@H](O)C#CC
InChIInChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,5,7H2,2H3/t8-/m1/s1
InChIKeyPIMKNMHFUAHNMC-MRVPVSSYSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds3

About (4S)-oct-7-en-2-yn-4-ol

(4S)-oct-7-en-2-yn-4-ol (PubChem CID 11177252) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (4S)-oct-7-en-2-yn-4-ol.

Molecular Properties

Compound Name(4S)-oct-7-en-2-yn-4-ol
PubChem CID11177252
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(4S)-oct-7-en-2-yn-4-ol
SMILESC=CCC[C@H](O)C#CC
InChIInChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,5,7H2,2H3/t8-/m1/s1
InChIKeyPIMKNMHFUAHNMC-MRVPVSSYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-oct-7-en-2-yn-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

5-Hexen-2-ol
CID 41170
(2R)-hex-5-en-2-ol
CID 11848709
6-Hepten-3-ol
CID 140608
(2S)-hex-5-en-2-ol
CID 11848710
(3S)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 162894043
(E,3S)-tetradec-6-en-8,10,12-triyn-3-ol
CID 162949435
(3S,6E,12E)-tetradeca-6,12-dien-8,10-diyn-3-ol
CID 162956999
(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 163193273
(3R)-hept-6-en-3-ol
CID 7015165
Oct-7-en-2-yn-1-ol
CID 11829429
Oct-7-en-1-yn-3-ol
CID 11829430
6,10-Dodecadien-1-yn-3-ol
CID 90973974

Frequently Asked Questions

What is the IUPAC name of (4S)-oct-7-en-2-yn-4-ol?
The IUPAC name of (4S)-oct-7-en-2-yn-4-ol (CID 11177252) is (4S)-oct-7-en-2-yn-4-ol.
What is the SMILES notation for (4S)-oct-7-en-2-yn-4-ol?
The canonical SMILES for (4S)-oct-7-en-2-yn-4-ol is C=CCC[C@H](O)C#CC.
What is the InChIKey of (4S)-oct-7-en-2-yn-4-ol?
The InChIKey is PIMKNMHFUAHNMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,5,7H2,2H3/t8-/m1/s1.
What are the key properties of (4S)-oct-7-en-2-yn-4-ol?
(4S)-oct-7-en-2-yn-4-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-oct-7-en-2-yn-4-ol is sourced from PubChem (CID 11177252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).