(4S)-4-propan-2-yloct-7-en-4-ol

C11H22O — CID 59911272

IUPAC(4S)-4-propan-2-yloct-7-en-4-ol
SMILESC=CCC[C@@](O)(CCC)C(C)C
InChIInChI=1S/C11H22O/c1-5-7-9-11(12,8-6-2)10(3)4/h5,10,12H,1,6-9H2,2-4H3/t11-/m0/s1
InChIKeyLXNIMZGQGXZPOH-NSHDSACASA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds6

About (4S)-4-propan-2-yloct-7-en-4-ol

(4S)-4-propan-2-yloct-7-en-4-ol (PubChem CID 59911272) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4S)-4-propan-2-yloct-7-en-4-ol.

Molecular Properties

Compound Name(4S)-4-propan-2-yloct-7-en-4-ol
PubChem CID59911272
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4S)-4-propan-2-yloct-7-en-4-ol
SMILESC=CCC[C@@](O)(CCC)C(C)C
InChIInChI=1S/C11H22O/c1-5-7-9-11(12,8-6-2)10(3)4/h5,10,12H,1,6-9H2,2-4H3/t11-/m0/s1
InChIKeyLXNIMZGQGXZPOH-NSHDSACASA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-propan-2-yloct-7-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

(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
4-propyloct-7-ene-3,4-diol
CID 57028437
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
CID 10774684
2,6-dimethyldec-9-en-2-ol
CID 154162071
3-ethyl-2-methylnonan-3-ol
CID 65146597
diethyl 2-but-3-enyl-2-propan-2-ylpropanedioate
CID 113360268
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
2-hex-5-enylnonadecane-1,2,3-triol
CID 87669583

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yloct-7-en-4-ol?
The IUPAC name of (4S)-4-propan-2-yloct-7-en-4-ol (CID 59911272) is (4S)-4-propan-2-yloct-7-en-4-ol.
What is the SMILES notation for (4S)-4-propan-2-yloct-7-en-4-ol?
The canonical SMILES for (4S)-4-propan-2-yloct-7-en-4-ol is C=CCC[C@@](O)(CCC)C(C)C.
What is the InChIKey of (4S)-4-propan-2-yloct-7-en-4-ol?
The InChIKey is LXNIMZGQGXZPOH-NSHDSACASA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-9-11(12,8-6-2)10(3)4/h5,10,12H,1,6-9H2,2-4H3/t11-/m0/s1.
What are the key properties of (4S)-4-propan-2-yloct-7-en-4-ol?
(4S)-4-propan-2-yloct-7-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yloct-7-en-4-ol is sourced from PubChem (CID 59911272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).