2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene

C17H30O2 — CID 164676644

IUPAC2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene
SMILESCOC(C)C(C)(/C=C/C1=C(C)CCCC1(C)C)OC
InChIInChI=1S/C17H30O2/c1-13-9-8-11-16(3,4)15(13)10-12-17(5,19-7)14(2)18-6/h10,12,14H,8-9,11H2,1-7H3/b12-10+
InChIKeyGDPAODPUMAHKID-ZRDIBKRKSA-N
MW266.43 g/mol
LogP4.51
Rot. Bonds5

About 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene

2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene (PubChem CID 164676644) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene
PubChem CID164676644
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene
SMILESCOC(C)C(C)(/C=C/C1=C(C)CCCC1(C)C)OC
InChIInChI=1S/C17H30O2/c1-13-9-8-11-16(3,4)15(13)10-12-17(5,19-7)14(2)18-6/h10,12,14H,8-9,11H2,1-7H3/b12-10+
InChIKeyGDPAODPUMAHKID-ZRDIBKRKSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexene, 2-(3-ethoxy-1-buten-1-yl)-1,3,3-trimethyl-
CID 6436993
2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
CID 103389
2,3-Dimethyl-2-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]oxirane
CID 54304481
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane
CID 10856657
2-[(E)-3-methoxybut-1-enyl]-1,3,3-trimethylcyclohexene
CID 11356247
2-[(1E)-3-methoxy-3-methylpenta-1,4-dienyl]-1,3,3-trimethylcyclohexene
CID 15524056
2-[(E,4Z)-4-[(4S,5S)-2-tert-butyl-4,5-dimethoxy-3-methylcyclopent-2-en-1-ylidene]-3-methylbut-2-enyl]-1,3,3-trimethylcyclohexene
CID 101081673
2-[(1E,3E,5E,7E)-9-[2-(2-methoxyethoxy)ethoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 11395129
2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 18941805
1,3,3-Trimethyl-2-(3-propan-2-yloxybut-1-enyl)cyclohexene
CID 53723490
1,3,3-Trimethyl-2-(3-prop-2-enoxybut-1-enyl)cyclohexene
CID 53876914
2-[3,7-Dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 53905722

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene (CID 164676644) is 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene is COC(C)C(C)(/C=C/C1=C(C)CCCC1(C)C)OC.
What is the InChIKey of 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene?
The InChIKey is GDPAODPUMAHKID-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H30O2/c1-13-9-8-11-16(3,4)15(13)10-12-17(5,19-7)14(2)18-6/h10,12,14H,8-9,11H2,1-7H3/b12-10+.
What are the key properties of 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene?
2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene has a molecular weight of 266.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,4-dimethoxy-3-methylpent-1-enyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 164676644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).