(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol

C8H14O — CID 12703988

IUPAC(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@@H](O)/C=C/C
InChIInChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4-9H,2H2,1,3H3/b6-4+/t7-,8-/m0/s1
InChIKeyGNLQOVSHGKKSBZ-ICLDZVTRSA-N
MW126.20 g/mol
LogP1.75
Rot. Bonds3

About (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol

(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol (PubChem CID 12703988) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol
PubChem CID12703988
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@@H](O)/C=C/C
InChIInChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4-9H,2H2,1,3H3/b6-4+/t7-,8-/m0/s1
InChIKeyGNLQOVSHGKKSBZ-ICLDZVTRSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,4S,5E)-3-methylhepta-1,5-dien-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

1,5-Octadien-3-ol
CID 205986
4-Methyl-1-penten-3-ol
CID 20929
(5E)-octa-1,5-dien-3-ol
CID 6428570
3,3,6-Trimethyl-1,5-heptadien-4-ol
CID 100197
Hex-4-en-3-ol
CID 5366234
Hept-3-en-2-ol
CID 5366262
Lyratol
CID 5462982
1,5-Undecadien-4-ol
CID 3017534
Undeca-1,5-dien-4-ol
CID 6365607
(A+/-)-trans-hex-4-en-3-ol
CID 11297938
2,4-Dimethyl-2,6-heptadien-1-ol
CID 5363655
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol?
The IUPAC name of (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol (CID 12703988) is (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol.
What is the SMILES notation for (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol?
The canonical SMILES for (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol is C=C[C@H](C)[C@@H](O)/C=C/C.
What is the InChIKey of (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol?
The InChIKey is GNLQOVSHGKKSBZ-ICLDZVTRSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4-9H,2H2,1,3H3/b6-4+/t7-,8-/m0/s1.
What are the key properties of (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol?
(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol has a molecular weight of 126.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5E)-3-methylhepta-1,5-dien-4-ol is sourced from PubChem (CID 12703988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).