(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol

C16H26O — CID 152779167

IUPAC(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol
SMILESCC(=CCO)/C=C/C12CC1(C)CCCC2(C)C
InChIInChI=1S/C16H26O/c1-13(7-11-17)6-10-16-12-15(16,4)9-5-8-14(16,2)3/h6-7,10,17H,5,8-9,11-12H2,1-4H3/b10-6+,13-7?
InChIKeyNYJRXNLMURKVEW-DTCVOIPYSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds3

About (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol

(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol (PubChem CID 152779167) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol
PubChem CID152779167
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol
SMILESCC(=CCO)/C=C/C12CC1(C)CCCC2(C)C
InChIInChI=1S/C16H26O/c1-13(7-11-17)6-10-16-12-15(16,4)9-5-8-14(16,2)3/h6-7,10,17H,5,8-9,11-12H2,1-4H3/b10-6+,13-7?
InChIKeyNYJRXNLMURKVEW-DTCVOIPYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-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

(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
5-bromo-3-methylpenta-2,4-dien-1-ol
CID 138114565
(1R,2R,4S)-1-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 11470764
1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 118721178
(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
CID 14991226
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 5354043
(2Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 87243014
(2E,4E,6Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-triene-1,6-diol
CID 10380340
(2E,4E,6R,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,7-triene-1,6-diol
CID 95560404
2-methyl-4-(1,2,2-trimethylcyclopentyl)but-2-enal
CID 140878858
(2E,4E)-5-[(4aS,5R)-1,4a-dimethyl-1,2,3,4,5,6,7,8,9,9a-decahydrobenzo[7]annulen-5-yl]-3-methylpenta-2,4-dien-1-ol
CID 142805273
3-methylocta-2,4,6-trien-1-ol
CID 130124602

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol?
The IUPAC name of (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol (CID 152779167) is (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol?
The canonical SMILES for (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol is CC(=CCO)/C=C/C12CC1(C)CCCC2(C)C.
What is the InChIKey of (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol?
The InChIKey is NYJRXNLMURKVEW-DTCVOIPYSA-N. The full InChI is InChI=1S/C16H26O/c1-13(7-11-17)6-10-16-12-15(16,4)9-5-8-14(16,2)3/h6-7,10,17H,5,8-9,11-12H2,1-4H3/b10-6+,13-7?.
What are the key properties of (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol?
(4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-5-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 152779167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).