1-methyl-2-(2-methylcyclopentylidene)cyclohexane

C13H22 — CID 74047326

IUPAC1-methyl-2-(2-methylcyclopentylidene)cyclohexane
SMILESCC1CCCCC1=C1CCCC1C
InChIInChI=1S/C13H22/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h10-11H,3-9H2,1-2H3
InChIKeyLGYCKXVCZBXUGR-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds

About 1-methyl-2-(2-methylcyclopentylidene)cyclohexane

1-methyl-2-(2-methylcyclopentylidene)cyclohexane (PubChem CID 74047326) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-methyl-2-(2-methylcyclopentylidene)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-(2-methylcyclopentylidene)cyclohexane
PubChem CID74047326
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-methyl-2-(2-methylcyclopentylidene)cyclohexane
SMILESCC1CCCCC1=C1CCCC1C
InChIInChI=1S/C13H22/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h10-11H,3-9H2,1-2H3
InChIKeyLGYCKXVCZBXUGR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Trimethylcyclopentene
CID 136316
p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
6-Isopropylidenebicyclo(3.1.0)hexane
CID 556529
Cyclohexane, (2-methyl-1-propenyl)-
CID 549098
trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
CID 162882634
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
1,2,4-Trimethylcyclopentene
CID 523224
(1Z)-1-ethylidene-2-methylcyclohexane
CID 13028908
(1E)-1-ethylidene-2-methylcyclohexane
CID 13028907
(2Z)-1-methyl-2-propylidenecyclohexane
CID 21719228
Cyclohexane, (2-ethyl-1-methylbutylidene)-
CID 565721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylcyclopentylidene)cyclohexane?
The IUPAC name of 1-methyl-2-(2-methylcyclopentylidene)cyclohexane (CID 74047326) is 1-methyl-2-(2-methylcyclopentylidene)cyclohexane.
What is the SMILES notation for 1-methyl-2-(2-methylcyclopentylidene)cyclohexane?
The canonical SMILES for 1-methyl-2-(2-methylcyclopentylidene)cyclohexane is CC1CCCCC1=C1CCCC1C.
What is the InChIKey of 1-methyl-2-(2-methylcyclopentylidene)cyclohexane?
The InChIKey is LGYCKXVCZBXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylcyclopentylidene)cyclohexane?
1-methyl-2-(2-methylcyclopentylidene)cyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylcyclopentylidene)cyclohexane is sourced from PubChem (CID 74047326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).