[(1S)-2-methylcyclopent-2-en-1-yl] decanoate

C16H28O2 — CID 67826089

IUPAC[(1S)-2-methylcyclopent-2-en-1-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@H]1CCC=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/t15-/m0/s1
InChIKeyBCEUYPBNXNQEAL-HNNXBMFYSA-N
MW252.40 g/mol
LogP4.78
Rot. Bonds9

About [(1S)-2-methylcyclopent-2-en-1-yl] decanoate

[(1S)-2-methylcyclopent-2-en-1-yl] decanoate (PubChem CID 67826089) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(1S)-2-methylcyclopent-2-en-1-yl] decanoate.

Molecular Properties

Compound Name[(1S)-2-methylcyclopent-2-en-1-yl] decanoate
PubChem CID67826089
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(1S)-2-methylcyclopent-2-en-1-yl] decanoate
SMILESCCCCCCCCCC(=O)O[C@H]1CCC=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/t15-/m0/s1
InChIKeyBCEUYPBNXNQEAL-HNNXBMFYSA-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 [(1S)-2-methylcyclopent-2-en-1-yl] decanoate?
The IUPAC name of [(1S)-2-methylcyclopent-2-en-1-yl] decanoate (CID 67826089) is [(1S)-2-methylcyclopent-2-en-1-yl] decanoate.
What is the SMILES notation for [(1S)-2-methylcyclopent-2-en-1-yl] decanoate?
The canonical SMILES for [(1S)-2-methylcyclopent-2-en-1-yl] decanoate is CCCCCCCCCC(=O)O[C@H]1CCC=C1C.
What is the InChIKey of [(1S)-2-methylcyclopent-2-en-1-yl] decanoate?
The InChIKey is BCEUYPBNXNQEAL-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of [(1S)-2-methylcyclopent-2-en-1-yl] decanoate?
[(1S)-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 [(1S)-2-methylcyclopent-2-en-1-yl] decanoate is sourced from PubChem (CID 67826089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).