3-(2,2-dimethylpropyl)cyclohexene

C11H20 — CID 19985552

IUPAC3-(2,2-dimethylpropyl)cyclohexene
SMILESCC(C)(C)CC1C=CCCC1
InChIInChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyCNJXQMKJLYUTAH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 3-(2,2-dimethylpropyl)cyclohexene

3-(2,2-dimethylpropyl)cyclohexene (PubChem CID 19985552) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)cyclohexene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)cyclohexene
PubChem CID19985552
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-(2,2-dimethylpropyl)cyclohexene
SMILESCC(C)(C)CC1C=CCCC1
InChIInChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyCNJXQMKJLYUTAH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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 3-(2,2-dimethylpropyl)cyclohexene?
The IUPAC name of 3-(2,2-dimethylpropyl)cyclohexene (CID 19985552) is 3-(2,2-dimethylpropyl)cyclohexene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)cyclohexene?
The canonical SMILES for 3-(2,2-dimethylpropyl)cyclohexene is CC(C)(C)CC1C=CCCC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)cyclohexene?
The InChIKey is CNJXQMKJLYUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)cyclohexene?
3-(2,2-dimethylpropyl)cyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)cyclohexene is sourced from PubChem (CID 19985552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).