3-(2-methylpropyl)cycloheptene

C11H20 — CID 54543527

IUPAC3-(2-methylpropyl)cycloheptene
SMILESCC(C)CC1C=CCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyGYOZGMWWARZUST-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

About 3-(2-methylpropyl)cycloheptene

3-(2-methylpropyl)cycloheptene (PubChem CID 54543527) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)cycloheptene.

Molecular Properties

Compound Name3-(2-methylpropyl)cycloheptene
PubChem CID54543527
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-(2-methylpropyl)cycloheptene
SMILESCC(C)CC1C=CCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyGYOZGMWWARZUST-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 3-(2-methylpropyl)cycloheptene?
The IUPAC name of 3-(2-methylpropyl)cycloheptene (CID 54543527) is 3-(2-methylpropyl)cycloheptene.
What is the SMILES notation for 3-(2-methylpropyl)cycloheptene?
The canonical SMILES for 3-(2-methylpropyl)cycloheptene is CC(C)CC1C=CCCCC1.
What is the InChIKey of 3-(2-methylpropyl)cycloheptene?
The InChIKey is GYOZGMWWARZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)cycloheptene?
3-(2-methylpropyl)cycloheptene 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 3-(2-methylpropyl)cycloheptene is sourced from PubChem (CID 54543527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).