2-butylidene-1,1-dimethylcyclohexane

C12H22 — CID 71338014

IUPAC2-butylidene-1,1-dimethylcyclohexane
SMILESCCCC=C1CCCCC1(C)C
InChIInChI=1S/C12H22/c1-4-5-8-11-9-6-7-10-12(11,2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyJFSTVHWJGVKSMX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds2

About 2-butylidene-1,1-dimethylcyclohexane

2-butylidene-1,1-dimethylcyclohexane (PubChem CID 71338014) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-butylidene-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2-butylidene-1,1-dimethylcyclohexane
PubChem CID71338014
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-butylidene-1,1-dimethylcyclohexane
SMILESCCCC=C1CCCCC1(C)C
InChIInChI=1S/C12H22/c1-4-5-8-11-9-6-7-10-12(11,2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyJFSTVHWJGVKSMX-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
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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Frequently Asked Questions

What is the IUPAC name of 2-butylidene-1,1-dimethylcyclohexane?
The IUPAC name of 2-butylidene-1,1-dimethylcyclohexane (CID 71338014) is 2-butylidene-1,1-dimethylcyclohexane.
What is the SMILES notation for 2-butylidene-1,1-dimethylcyclohexane?
The canonical SMILES for 2-butylidene-1,1-dimethylcyclohexane is CCCC=C1CCCCC1(C)C.
What is the InChIKey of 2-butylidene-1,1-dimethylcyclohexane?
The InChIKey is JFSTVHWJGVKSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-8-11-9-6-7-10-12(11,2)3/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 2-butylidene-1,1-dimethylcyclohexane?
2-butylidene-1,1-dimethylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-1,1-dimethylcyclohexane is sourced from PubChem (CID 71338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).