2-methylprop-2-enylcycloheptane

C11H20 — CID 55275784

IUPAC2-methylprop-2-enylcycloheptane
SMILESC=C(C)CC1CCCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h11H,1,3-9H2,2H3
InChIKeyWMWXAPZVWKJYDO-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds2

About 2-methylprop-2-enylcycloheptane

2-methylprop-2-enylcycloheptane (PubChem CID 55275784) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-methylprop-2-enylcycloheptane.

Molecular Properties

Compound Name2-methylprop-2-enylcycloheptane
PubChem CID55275784
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-methylprop-2-enylcycloheptane
SMILESC=C(C)CC1CCCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h11H,1,3-9H2,2H3
InChIKeyWMWXAPZVWKJYDO-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enylcycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylcycloheptane?
The IUPAC name of 2-methylprop-2-enylcycloheptane (CID 55275784) is 2-methylprop-2-enylcycloheptane.
What is the SMILES notation for 2-methylprop-2-enylcycloheptane?
The canonical SMILES for 2-methylprop-2-enylcycloheptane is C=C(C)CC1CCCCCC1.
What is the InChIKey of 2-methylprop-2-enylcycloheptane?
The InChIKey is WMWXAPZVWKJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h11H,1,3-9H2,2H3.
What are the key properties of 2-methylprop-2-enylcycloheptane?
2-methylprop-2-enylcycloheptane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylcycloheptane is sourced from PubChem (CID 55275784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).