3-cyclopropylidenebutan-2-ylcyclohexane

C13H22 — CID 123920628

IUPAC3-cyclopropylidenebutan-2-ylcyclohexane
SMILESCC(=C1CC1)C(C)C1CCCCC1
InChIInChI=1S/C13H22/c1-10(11(2)13-8-9-13)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyCHBZUQPUMIRTJZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds2

About 3-cyclopropylidenebutan-2-ylcyclohexane

3-cyclopropylidenebutan-2-ylcyclohexane (PubChem CID 123920628) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-cyclopropylidenebutan-2-ylcyclohexane.

Molecular Properties

Compound Name3-cyclopropylidenebutan-2-ylcyclohexane
PubChem CID123920628
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-cyclopropylidenebutan-2-ylcyclohexane
SMILESCC(=C1CC1)C(C)C1CCCCC1
InChIInChI=1S/C13H22/c1-10(11(2)13-8-9-13)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyCHBZUQPUMIRTJZ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
1-Menthene
CID 25445
trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
CID 162882634
(3S,4aR,5R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050319
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
4-Methyl-3-carene
CID 14029516
1-Tert-butyl-4-isopropylidene-cyclohexane
CID 4429565
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445
Tetramethyloctene
CID 18915868

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylidenebutan-2-ylcyclohexane?
The IUPAC name of 3-cyclopropylidenebutan-2-ylcyclohexane (CID 123920628) is 3-cyclopropylidenebutan-2-ylcyclohexane.
What is the SMILES notation for 3-cyclopropylidenebutan-2-ylcyclohexane?
The canonical SMILES for 3-cyclopropylidenebutan-2-ylcyclohexane is CC(=C1CC1)C(C)C1CCCCC1.
What is the InChIKey of 3-cyclopropylidenebutan-2-ylcyclohexane?
The InChIKey is CHBZUQPUMIRTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10(11(2)13-8-9-13)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropylidenebutan-2-ylcyclohexane?
3-cyclopropylidenebutan-2-ylcyclohexane has a molecular weight of 178.32 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 3-cyclopropylidenebutan-2-ylcyclohexane is sourced from PubChem (CID 123920628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).