methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

C26H40O10 — CID 158808466

IUPACmethanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESC=CCOC(=O)C1(CCOC(C)=O)CCCC1=O.C=CCOC(=O)C12CCCC1(OC)OCC2.CO
InChIInChI=1S/C13H18O5.C12H18O4.CH4O/c1-3-8-18-12(16)13(6-4-5-11(13)15)7-9-17-10(2)14;1-3-8-15-10(13)11-5-4-6-12(11,14-2)16-9-7-11;1-2/h3H,1,4-9H2,2H3;3H,1,4-9H2,2H3;2H,1H3
InChIKeyIUJLMPMWMCQKKP-UHFFFAOYSA-N
MW512.60 g/mol
LogP2.67
Rot. Bonds10

About methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (PubChem CID 158808466) has the molecular formula C26H40O10 and a molecular weight of 512.60 g/mol. Its IUPAC name is methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
PubChem CID158808466
Molecular FormulaC26H40O10
Molecular Weight512.60 g/mol
Exact Mass512.26
IUPAC Namemethanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESC=CCOC(=O)C1(CCOC(C)=O)CCCC1=O.C=CCOC(=O)C12CCCC1(OC)OCC2.CO
InChIInChI=1S/C13H18O5.C12H18O4.CH4O/c1-3-8-18-12(16)13(6-4-5-11(13)15)7-9-17-10(2)14;1-3-8-15-10(13)11-5-4-6-12(11,14-2)16-9-7-11;1-2/h3H,1,4-9H2,2H3;3H,1,4-9H2,2H3;2H,1H3
InChIKeyIUJLMPMWMCQKKP-UHFFFAOYSA-N
XLogP2.67
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.60
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate 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 methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (CID 158808466) is methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is C=CCOC(=O)C1(CCOC(C)=O)CCCC1=O.C=CCOC(=O)C12CCCC1(OC)OCC2.CO.
What is the InChIKey of methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The InChIKey is IUJLMPMWMCQKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5.C12H18O4.CH4O/c1-3-8-18-12(16)13(6-4-5-11(13)15)7-9-17-10(2)14;1-3-8-15-10(13)11-5-4-6-12(11,14-2)16-9-7-11;1-2/h3H,1,4-9H2,2H3;3H,1,4-9H2,2H3;2H,1H3.
What are the key properties of methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate has a molecular weight of 512.60 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 158808466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).