(2-methylcyclopent-2-en-1-yl) decanoate

C16H28O2 — CID 19821098

IUPAC(2-methylcyclopent-2-en-1-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1CCC=C1C
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-13-16(17)18-15-12-10-11-14(15)2/h11,15H,3-10,12-13H2,1-2H3
InChIKeyBCEUYPBNXNQEAL-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.78
Rot. Bonds9

About (2-methylcyclopent-2-en-1-yl) decanoate

(2-methylcyclopent-2-en-1-yl) decanoate (PubChem CID 19821098) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2-methylcyclopent-2-en-1-yl) decanoate.

Molecular Properties

Compound Name(2-methylcyclopent-2-en-1-yl) decanoate
PubChem CID19821098
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2-methylcyclopent-2-en-1-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1CCC=C1C
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-13-16(17)18-15-12-10-11-14(15)2/h11,15H,3-10,12-13H2,1-2H3
InChIKeyBCEUYPBNXNQEAL-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopent-2-en-1-yl) decanoate?
The IUPAC name of (2-methylcyclopent-2-en-1-yl) decanoate (CID 19821098) is (2-methylcyclopent-2-en-1-yl) decanoate.
What is the SMILES notation for (2-methylcyclopent-2-en-1-yl) decanoate?
The canonical SMILES for (2-methylcyclopent-2-en-1-yl) decanoate is CCCCCCCCCC(=O)OC1CCC=C1C.
What is the InChIKey of (2-methylcyclopent-2-en-1-yl) decanoate?
The InChIKey is BCEUYPBNXNQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-13-16(17)18-15-12-10-11-14(15)2/h11,15H,3-10,12-13H2,1-2H3.
What are the key properties of (2-methylcyclopent-2-en-1-yl) decanoate?
(2-methylcyclopent-2-en-1-yl) decanoate has a molecular weight of 252.40 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopent-2-en-1-yl) decanoate is sourced from PubChem (CID 19821098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).