2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene

C17H28O2 — CID 15463222

IUPAC2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene
SMILESC=C(/C=C/C1=C(C)CCCC1(C)C)CC(OC)OC
InChIInChI=1S/C17H28O2/c1-13(12-16(18-5)19-6)9-10-15-14(2)8-7-11-17(15,3)4/h9-10,16H,1,7-8,11-12H2,2-6H3/b10-9+
InChIKeyVLDZSVKURUPQJX-MDZDMXLPSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds6

About 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene

2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene (PubChem CID 15463222) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene
PubChem CID15463222
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene
SMILESC=C(/C=C/C1=C(C)CCCC1(C)C)CC(OC)OC
InChIInChI=1S/C17H28O2/c1-13(12-16(18-5)19-6)9-10-15-14(2)8-7-11-17(15,3)4/h9-10,16H,1,7-8,11-12H2,2-6H3/b10-9+
InChIKeyVLDZSVKURUPQJX-MDZDMXLPSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene 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

5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
CID 71336953
2-[(1E,3E)-5-methoxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexene
CID 10331613
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 10561866
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
(2E,4E,8E)-2-methyl-7-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,8-trienal
CID 11601646
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
1,3,3-trimethyl-2-[(1E,3E,5E,7E)-3,7,10-trimethyl-9-methylideneundeca-1,3,5,7-tetraenyl]cyclohexene
CID 167584948

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene (CID 15463222) is 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene is C=C(/C=C/C1=C(C)CCCC1(C)C)CC(OC)OC.
What is the InChIKey of 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene?
The InChIKey is VLDZSVKURUPQJX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(12-16(18-5)19-6)9-10-15-14(2)8-7-11-17(15,3)4/h9-10,16H,1,7-8,11-12H2,2-6H3/b10-9+.
What are the key properties of 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene?
2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene has a molecular weight of 264.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 15463222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).