1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene

C16H28O2 — CID 146572123

IUPAC1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene
SMILESC=C1CC(CC(C)C)CC=C1CCC(OC)OC
InChIInChI=1S/C16H28O2/c1-12(2)10-14-6-7-15(13(3)11-14)8-9-16(17-4)18-5/h7,12,14,16H,3,6,8-11H2,1-2,4-5H3
InChIKeyFZNDTRVQESSRFT-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.32
Rot. Bonds7

About 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene

1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene (PubChem CID 146572123) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene
PubChem CID146572123
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene
SMILESC=C1CC(CC(C)C)CC=C1CCC(OC)OC
InChIInChI=1S/C16H28O2/c1-12(2)10-14-6-7-15(13(3)11-14)8-9-16(17-4)18-5/h7,12,14,16H,3,6,8-11H2,1-2,4-5H3
InChIKeyFZNDTRVQESSRFT-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-
CID 106157
1-Undecene, 11,11-bis((3,7-dimethyl-6-octenyl)oxy)-
CID 105589
Cyclohexene, 4-(dimethoxymethyl)-1,3-dimethyl-
CID 21156084
Cyclohexene, 4-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016657
Cyclohexene, 5-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016658
4-(3-(1-Ethoxyethoxy)-1-methylenepropyl)-1-methylcyclohexene
CID 175289
8-Hexadecene, 1,1-diethoxy-14-methyl-, (8Z)-
CID 20841393
8-Hexadecene, 1,1-dimethoxy-14-methyl-, (8Z)-
CID 21770566
(3R,4R)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
CID 3085859
2-[4-(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)cyclohex-3-en-1-yl]-5-propyl-1,3-dioxane
CID 135303211
1-(3,3-Dimethoxypropyl)-2-methyl-4-(2-methylpropyl)cyclohexene
CID 146572116
2-(3,3-Dimethoxypropyl)-3-methyl-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 156769565

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene?
The IUPAC name of 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene (CID 146572123) is 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene.
What is the SMILES notation for 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene?
The canonical SMILES for 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene is C=C1CC(CC(C)C)CC=C1CCC(OC)OC.
What is the InChIKey of 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene?
The InChIKey is FZNDTRVQESSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12(2)10-14-6-7-15(13(3)11-14)8-9-16(17-4)18-5/h7,12,14,16H,3,6,8-11H2,1-2,4-5H3.
What are the key properties of 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene?
1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene has a molecular weight of 252.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethoxypropyl)-6-methylidene-4-(2-methylpropyl)cyclohexene is sourced from PubChem (CID 146572123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).