1-(2,2-dimethylpropyl)cyclohexene

C11H20 — CID 14949650

IUPAC1-(2,2-dimethylpropyl)cyclohexene
SMILESCC(C)(C)CC1=CCCCC1
InChIInChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyIBZRRMQTZMYXDA-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds1

About 1-(2,2-dimethylpropyl)cyclohexene

1-(2,2-dimethylpropyl)cyclohexene (PubChem CID 14949650) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)cyclohexene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)cyclohexene
PubChem CID14949650
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(2,2-dimethylpropyl)cyclohexene
SMILESCC(C)(C)CC1=CCCCC1
InChIInChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyIBZRRMQTZMYXDA-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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 1-(2,2-dimethylpropyl)cyclohexene?
The IUPAC name of 1-(2,2-dimethylpropyl)cyclohexene (CID 14949650) is 1-(2,2-dimethylpropyl)cyclohexene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)cyclohexene?
The canonical SMILES for 1-(2,2-dimethylpropyl)cyclohexene is CC(C)(C)CC1=CCCCC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)cyclohexene?
The InChIKey is IBZRRMQTZMYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)cyclohexene?
1-(2,2-dimethylpropyl)cyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)cyclohexene is sourced from PubChem (CID 14949650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).