cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate

C16H28O3 — CID 69304567

IUPACcyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
SMILESC=C(C(=O)OC1CCCC1)C(O)C(CC)CCCC
InChIInChI=1S/C16H28O3/c1-4-6-9-13(5-2)15(17)12(3)16(18)19-14-10-7-8-11-14/h13-15,17H,3-11H2,1-2H3
InChIKeyJTBDAKLFZUQFQA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.61
Rot. Bonds8

About cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate

cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate (PubChem CID 69304567) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate.

Molecular Properties

Compound Namecyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
PubChem CID69304567
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namecyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
SMILESC=C(C(=O)OC1CCCC1)C(O)C(CC)CCCC
InChIInChI=1S/C16H28O3/c1-4-6-9-13(5-2)15(17)12(3)16(18)19-14-10-7-8-11-14/h13-15,17H,3-11H2,1-2H3
InChIKeyJTBDAKLFZUQFQA-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate 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 cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate?
The IUPAC name of cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate (CID 69304567) is cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate.
What is the SMILES notation for cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate?
The canonical SMILES for cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate is C=C(C(=O)OC1CCCC1)C(O)C(CC)CCCC.
What is the InChIKey of cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate?
The InChIKey is JTBDAKLFZUQFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-6-9-13(5-2)15(17)12(3)16(18)19-14-10-7-8-11-14/h13-15,17H,3-11H2,1-2H3.
What are the key properties of cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate?
cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate has a molecular weight of 268.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate is sourced from PubChem (CID 69304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).