(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol

C11H18O — CID 126639403

IUPAC(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol
SMILESC=C(O)C(=C/C)/C(C)=C(/C)CC
InChIInChI=1S/C11H18O/c1-6-8(3)9(4)11(7-2)10(5)12/h7,12H,5-6H2,1-4H3/b9-8-,11-7+
InChIKeyUIFOLBGPFHVJBN-NVKZJLNYSA-N
MW166.26 g/mol
LogP3.75
Rot. Bonds3

About (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol

(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol (PubChem CID 126639403) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol
PubChem CID126639403
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol
SMILESC=C(O)C(=C/C)/C(C)=C(/C)CC
InChIInChI=1S/C11H18O/c1-6-8(3)9(4)11(7-2)10(5)12/h7,12H,5-6H2,1-4H3/b9-8-,11-7+
InChIKeyUIFOLBGPFHVJBN-NVKZJLNYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-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

(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
(3E)-3,4-dimethylhexa-1,3-dien-2-ol;ethane;2,3,4-trimethylpent-2-ene
CID 144527339
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol?
The IUPAC name of (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol (CID 126639403) is (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol?
The canonical SMILES for (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol is C=C(O)C(=C/C)/C(C)=C(/C)CC.
What is the InChIKey of (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol?
The InChIKey is UIFOLBGPFHVJBN-NVKZJLNYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-8(3)9(4)11(7-2)10(5)12/h7,12H,5-6H2,1-4H3/b9-8-,11-7+.
What are the key properties of (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol?
(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol has a molecular weight of 166.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol is sourced from PubChem (CID 126639403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).