4-(2-methylbutan-2-yl)cyclohexene

C11H20 — CID 551432

IUPAC4-(2-methylbutan-2-yl)cyclohexene
SMILESCCC(C)(C)C1CC=CCC1
InChIInChI=1S/C11H20/c1-4-11(2,3)10-8-6-5-7-9-10/h5-6,10H,4,7-9H2,1-3H3
InChIKeyQHNHBWFHTRVZPZ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

About 4-(2-methylbutan-2-yl)cyclohexene

4-(2-methylbutan-2-yl)cyclohexene (PubChem CID 551432) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)cyclohexene.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)cyclohexene
PubChem CID551432
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4-(2-methylbutan-2-yl)cyclohexene
SMILESCCC(C)(C)C1CC=CCC1
InChIInChI=1S/C11H20/c1-4-11(2,3)10-8-6-5-7-9-10/h5-6,10H,4,7-9H2,1-3H3
InChIKeyQHNHBWFHTRVZPZ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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 4-(2-methylbutan-2-yl)cyclohexene?
The IUPAC name of 4-(2-methylbutan-2-yl)cyclohexene (CID 551432) is 4-(2-methylbutan-2-yl)cyclohexene.
What is the SMILES notation for 4-(2-methylbutan-2-yl)cyclohexene?
The canonical SMILES for 4-(2-methylbutan-2-yl)cyclohexene is CCC(C)(C)C1CC=CCC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)cyclohexene?
The InChIKey is QHNHBWFHTRVZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-11(2,3)10-8-6-5-7-9-10/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)cyclohexene?
4-(2-methylbutan-2-yl)cyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)cyclohexene is sourced from PubChem (CID 551432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).