6-(methoxymethylidene)-1,3,3-trimethylcyclohexene

C11H18O — CID 121481801

IUPAC6-(methoxymethylidene)-1,3,3-trimethylcyclohexene
SMILESCOC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C11H18O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h7-8H,5-6H2,1-4H3
InChIKeyOWUZEGQNOHPIKL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds1

About 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene

6-(methoxymethylidene)-1,3,3-trimethylcyclohexene (PubChem CID 121481801) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name6-(methoxymethylidene)-1,3,3-trimethylcyclohexene
PubChem CID121481801
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-(methoxymethylidene)-1,3,3-trimethylcyclohexene
SMILESCOC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C11H18O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h7-8H,5-6H2,1-4H3
InChIKeyOWUZEGQNOHPIKL-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'}

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Related Compounds

6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
CID 122205507
2-(2-Methoxyethenyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134833668
(1S,5R)-2-[(E)-2-methoxyethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134987512
(4Z)-4-(methoxymethylidene)-3-methyl-1-(4-methylpent-3-enyl)cyclohexene
CID 135062658
2-[(2E,7E)-6-tert-butyl-8-ethoxy-3,7-dimethylocta-2,4,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 102573373
2-[(E)-2-methoxyethenyl]-1,3,3-trimethylcyclohexene
CID 5314087
1-Methoxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,4-diene
CID 15790722
2-[(1E,3E,5E,7E)-8-methoxy-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 20648210
5-butyl-2,3-ditert-butyl-4H-pyran
CID 20872171
2,3-ditert-butyl-5-methyl-4H-pyran
CID 23402625
2,3-ditert-butyl-5-propyl-4H-pyran
CID 23552434
5-(2-methylpropyl)-4-propan-2-yl-2H-pyran
CID 59139463

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene?
The IUPAC name of 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene (CID 121481801) is 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene?
The canonical SMILES for 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene is COC=C1CCC(C)(C)C=C1C.
What is the InChIKey of 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene?
The InChIKey is OWUZEGQNOHPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene?
6-(methoxymethylidene)-1,3,3-trimethylcyclohexene has a molecular weight of 166.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethylidene)-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 121481801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).