2-methylhepta-4,6-dien-2-ol

C8H14O — CID 54228855

IUPAC2-methylhepta-4,6-dien-2-ol
SMILESC=CC=CCC(C)(C)O
InChIInChI=1S/C8H14O/c1-4-5-6-7-8(2,3)9/h4-6,9H,1,7H2,2-3H3
InChIKeyQHTYFQNJEIYGDG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About 2-methylhepta-4,6-dien-2-ol

2-methylhepta-4,6-dien-2-ol (PubChem CID 54228855) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methylhepta-4,6-dien-2-ol.

Molecular Properties

Compound Name2-methylhepta-4,6-dien-2-ol
PubChem CID54228855
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methylhepta-4,6-dien-2-ol
SMILESC=CC=CCC(C)(C)O
InChIInChI=1S/C8H14O/c1-4-5-6-7-8(2,3)9/h4-6,9H,1,7H2,2-3H3
InChIKeyQHTYFQNJEIYGDG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylhepta-4,6-dien-2-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

(E)-2,7-dimethyloct-4-ene-2,7-diol
CID 6536882
2,7-dimethylocta-4,6-dien-2-ol
CID 527419
(6E)-4,4-dimethylnona-6,8-dien-2-one
CID 12576362
(3Z)-hepta-1,3-diene
CID 6427773
dimethyl 2-[(2E,4E)-hexa-2,4-dienyl]-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 101197506
(3E)-8-bromo-7,7-dimethylocta-1,3-diene
CID 165443094
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
CID 143033225
(3E)-8-methylnona-1,3,7-triene
CID 16752433
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
cobalt;hexa-1,3-diene
CID 174676950
diethyl 2-buta-2,3-dienyl-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 122220904
tert-butyl (6E)-nona-6,8-dienoate
CID 10081858

Frequently Asked Questions

What is the IUPAC name of 2-methylhepta-4,6-dien-2-ol?
The IUPAC name of 2-methylhepta-4,6-dien-2-ol (CID 54228855) is 2-methylhepta-4,6-dien-2-ol.
What is the SMILES notation for 2-methylhepta-4,6-dien-2-ol?
The canonical SMILES for 2-methylhepta-4,6-dien-2-ol is C=CC=CCC(C)(C)O.
What is the InChIKey of 2-methylhepta-4,6-dien-2-ol?
The InChIKey is QHTYFQNJEIYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-7-8(2,3)9/h4-6,9H,1,7H2,2-3H3.
What are the key properties of 2-methylhepta-4,6-dien-2-ol?
2-methylhepta-4,6-dien-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhepta-4,6-dien-2-ol is sourced from PubChem (CID 54228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).