(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate

C16H28O2 — CID 155471166

IUPAC(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC1=CC(OC(=O)C(C)(CC(C)C)C(C)C)CC1
InChIInChI=1S/C16H28O2/c1-11(2)10-16(6,12(3)4)15(17)18-14-8-7-13(5)9-14/h9,11-12,14H,7-8,10H2,1-6H3
InChIKeyUKRCHUFIICPREE-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.35
Rot. Bonds5

About (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate

(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 155471166) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID155471166
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC1=CC(OC(=O)C(C)(CC(C)C)C(C)C)CC1
InChIInChI=1S/C16H28O2/c1-11(2)10-16(6,12(3)4)15(17)18-14-8-7-13(5)9-14/h9,11-12,14H,7-8,10H2,1-6H3
InChIKeyUKRCHUFIICPREE-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate 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 (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate (CID 155471166) is (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate is CC1=CC(OC(=O)C(C)(CC(C)C)C(C)C)CC1.
What is the InChIKey of (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is UKRCHUFIICPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11(2)10-16(6,12(3)4)15(17)18-14-8-7-13(5)9-14/h9,11-12,14H,7-8,10H2,1-6H3.
What are the key properties of (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate?
(3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 252.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopent-2-en-1-yl) 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 155471166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).