ethyl 3-cyclopentyl-3-hydroxypent-4-enoate

C12H20O3 — CID 58764224

IUPACethyl 3-cyclopentyl-3-hydroxypent-4-enoate
SMILESC=CC(O)(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C12H20O3/c1-3-12(14,9-11(13)15-4-2)10-7-5-6-8-10/h3,10,14H,1,4-9H2,2H3
InChIKeyWNJPLRDTAROUFY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds5

About ethyl 3-cyclopentyl-3-hydroxypent-4-enoate

ethyl 3-cyclopentyl-3-hydroxypent-4-enoate (PubChem CID 58764224) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 3-cyclopentyl-3-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyl-3-hydroxypent-4-enoate
PubChem CID58764224
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 3-cyclopentyl-3-hydroxypent-4-enoate
SMILESC=CC(O)(CC(=O)OCC)C1CCCC1
InChIInChI=1S/C12H20O3/c1-3-12(14,9-11(13)15-4-2)10-7-5-6-8-10/h3,10,14H,1,4-9H2,2H3
InChIKeyWNJPLRDTAROUFY-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyl-3-hydroxypent-4-enoate?
The IUPAC name of ethyl 3-cyclopentyl-3-hydroxypent-4-enoate (CID 58764224) is ethyl 3-cyclopentyl-3-hydroxypent-4-enoate.
What is the SMILES notation for ethyl 3-cyclopentyl-3-hydroxypent-4-enoate?
The canonical SMILES for ethyl 3-cyclopentyl-3-hydroxypent-4-enoate is C=CC(O)(CC(=O)OCC)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentyl-3-hydroxypent-4-enoate?
The InChIKey is WNJPLRDTAROUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-12(14,9-11(13)15-4-2)10-7-5-6-8-10/h3,10,14H,1,4-9H2,2H3.
What are the key properties of ethyl 3-cyclopentyl-3-hydroxypent-4-enoate?
ethyl 3-cyclopentyl-3-hydroxypent-4-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyl-3-hydroxypent-4-enoate is sourced from PubChem (CID 58764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).