3-(2-methylpropyl)cyclohexene

C10H18 — CID 20057

IUPAC3-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1C=CCCC1
InChIInChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyNVLNRIBMCIJLQD-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds2

About 3-(2-methylpropyl)cyclohexene

3-(2-methylpropyl)cyclohexene (PubChem CID 20057) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name3-(2-methylpropyl)cyclohexene
PubChem CID20057
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1C=CCCC1
InChIInChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyNVLNRIBMCIJLQD-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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-methylpropyl)cyclohexene?
The IUPAC name of 3-(2-methylpropyl)cyclohexene (CID 20057) is 3-(2-methylpropyl)cyclohexene.
What is the SMILES notation for 3-(2-methylpropyl)cyclohexene?
The canonical SMILES for 3-(2-methylpropyl)cyclohexene is CC(C)CC1C=CCCC1.
What is the InChIKey of 3-(2-methylpropyl)cyclohexene?
The InChIKey is NVLNRIBMCIJLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)cyclohexene?
3-(2-methylpropyl)cyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)cyclohexene is sourced from PubChem (CID 20057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).