methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

C14H24O3 — CID 10399397

IUPACmethyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\C[C@@]1(C)[C@@H](CC(=O)OC)CC[C@@H]1O
InChIInChI=1S/C14H24O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11-12,15H,4,7-10H2,1-3H3/b6-5-/t11-,12+,14+/m1/s1
InChIKeyCHCSKDXSEKQNAB-KGKKKFOGSA-N
MW240.34 g/mol
LogP2.68
Rot. Bonds5

About methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (PubChem CID 10399397) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
PubChem CID10399397
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\C[C@@]1(C)[C@@H](CC(=O)OC)CC[C@@H]1O
InChIInChI=1S/C14H24O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11-12,15H,4,7-10H2,1-3H3/b6-5-/t11-,12+,14+/m1/s1
InChIKeyCHCSKDXSEKQNAB-KGKKKFOGSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Colletoic acid
CID 24854349
Cucurbic acid
CID 6123064
(+)-Cucurbic acid
CID 5281159
(1S,4S,5S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 137647393
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
CID 441565
7-Iso-cucurbic acid
CID 14262447
methyl (1S,4S,5S,9S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylate
CID 24854350
(1S,4R,5S,9S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155515115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (CID 10399397) is methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is CC/C=C\C[C@@]1(C)[C@@H](CC(=O)OC)CC[C@@H]1O.
What is the InChIKey of methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The InChIKey is CHCSKDXSEKQNAB-KGKKKFOGSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11-12,15H,4,7-10H2,1-3H3/b6-5-/t11-,12+,14+/m1/s1.
What are the key properties of methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate has a molecular weight of 240.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,3S)-3-hydroxy-2-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 10399397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).