4-(1-methoxyethenyl)-1,2-dimethylcyclohexene

C11H18O — CID 13208451

IUPAC4-(1-methoxyethenyl)-1,2-dimethylcyclohexene
SMILESC=C(OC)C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18O/c1-8-5-6-11(7-9(8)2)10(3)12-4/h11H,3,5-7H2,1-2,4H3
InChIKeyOROCYYYUFONKJA-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds2

About 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene

4-(1-methoxyethenyl)-1,2-dimethylcyclohexene (PubChem CID 13208451) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-1,2-dimethylcyclohexene
PubChem CID13208451
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-(1-methoxyethenyl)-1,2-dimethylcyclohexene
SMILESC=C(OC)C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18O/c1-8-5-6-11(7-9(8)2)10(3)12-4/h11H,3,5-7H2,1-2,4H3
InChIKeyOROCYYYUFONKJA-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl alpha-terpinyl ether
CID 85755
1,5-Cyclododecadiene, 9-methoxy-1,6,10-trimethyl-
CID 102054965
1,5-Cyclododecadiene, 9-methoxy-1,5,10-trimethyl-
CID 102054964
4-(Methoxymethyl)-1,2-dimethylcyclohexene
CID 13208452
1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-, (4R)-
CID 11829845
1-Ethyl-4-fluoro-6-(methoxymethyl)cyclohexene
CID 169852499
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
(4aS,8S)-6-methoxy-8-methyl-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulene
CID 134837860
gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane
CID 137279623
Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-, (4S)-
CID 91799731
1-Methoxy-5-methylcyclohexene
CID 12361546

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene?
The IUPAC name of 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene (CID 13208451) is 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene.
What is the SMILES notation for 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene?
The canonical SMILES for 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene is C=C(OC)C1CCC(C)=C(C)C1.
What is the InChIKey of 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene?
The InChIKey is OROCYYYUFONKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-6-11(7-9(8)2)10(3)12-4/h11H,3,5-7H2,1-2,4H3.
What are the key properties of 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene?
4-(1-methoxyethenyl)-1,2-dimethylcyclohexene has a molecular weight of 166.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-1,2-dimethylcyclohexene is sourced from PubChem (CID 13208451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).