(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol

C15H26O — CID 11042317

IUPAC(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
SMILESCC1=C(CC/C(C)=C/CO)C(C)(C)CCC1
InChIInChI=1S/C15H26O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9,16H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyKIZNOFQLFLXUNU-FMIVXFBMSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds4

About (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol

(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol (PubChem CID 11042317) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
PubChem CID11042317
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
SMILESCC1=C(CC/C(C)=C/CO)C(C)(C)CCC1
InChIInChI=1S/C15H26O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9,16H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyKIZNOFQLFLXUNU-FMIVXFBMSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-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

(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-en-1-ol
CID 5372328
(2E,4E,6Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-triene-1,6-diol
CID 10380340
(Z)-N,N,4-trimethyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enamide
CID 10588597
(6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienal
CID 165111449
(E,2E)-2-ethylidene-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal
CID 15381898
(E)-9-methyl-11-(2,6,6-trimethylcyclohexen-1-yl)undec-8-en-2-one
CID 167089610
fluoro (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enoate
CID 145154298
[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] acetate
CID 15895494
(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-ol
CID 5372327
[(3E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,6-dienyl]-ethoxy-dimethylsilane
CID 167424473
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-2-en-1-amine
CID 53361964
(5R)-1,3,3-trimethyl-5-nitroso-2-[(3E,7E,11E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,7,11,15-tetraenyl]cyclohexene
CID 89188416

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The IUPAC name of (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol (CID 11042317) is (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol.
What is the SMILES notation for (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The canonical SMILES for (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol is CC1=C(CC/C(C)=C/CO)C(C)(C)CCC1.
What is the InChIKey of (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The InChIKey is KIZNOFQLFLXUNU-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H26O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h9,16H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol is sourced from PubChem (CID 11042317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).