3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane

C12H22O — CID 170850506

IUPAC3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane
SMILESCOCC=C1CCCC(C)(C)C1C
InChIInChI=1S/C12H22O/c1-10-11(7-9-13-4)6-5-8-12(10,2)3/h7,10H,5-6,8-9H2,1-4H3
InChIKeyFKMFHCLWPPMUGN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.41
Rot. Bonds2

About 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane

3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane (PubChem CID 170850506) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane.

Molecular Properties

Compound Name3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane
PubChem CID170850506
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane
SMILESCOCC=C1CCCC(C)(C)C1C
InChIInChI=1S/C12H22O/c1-10-11(7-9-13-4)6-5-8-12(10,2)3/h7,10H,5-6,8-9H2,1-4H3
InChIKeyFKMFHCLWPPMUGN-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane?
The IUPAC name of 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane (CID 170850506) is 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane.
What is the SMILES notation for 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane?
The canonical SMILES for 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane is COCC=C1CCCC(C)(C)C1C.
What is the InChIKey of 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane?
The InChIKey is FKMFHCLWPPMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-11(7-9-13-4)6-5-8-12(10,2)3/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane?
3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)-1,1,2-trimethylcyclohexane is sourced from PubChem (CID 170850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).