methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate

C15H25O6P — CID 88524285

IUPACmethyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate
SMILESCCOP(=O)(CC1=C(C(=COC)C(=O)OC)CCC1)OCC
InChIInChI=1S/C15H25O6P/c1-5-20-22(17,21-6-2)11-12-8-7-9-13(12)14(10-18-3)15(16)19-4/h10H,5-9,11H2,1-4H3
InChIKeyWCWCRPNGGPTARP-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.44
Rot. Bonds9

About methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate

methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate (PubChem CID 88524285) has the molecular formula C15H25O6P and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate
PubChem CID88524285
Molecular FormulaC15H25O6P
Molecular Weight332.33 g/mol
Exact Mass332.14
IUPAC Namemethyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate
SMILESCCOP(=O)(CC1=C(C(=COC)C(=O)OC)CCC1)OCC
InChIInChI=1S/C15H25O6P/c1-5-20-22(17,21-6-2)11-12-8-7-9-13(12)14(10-18-3)15(16)19-4/h10H,5-9,11H2,1-4H3
InChIKeyWCWCRPNGGPTARP-UHFFFAOYSA-N
XLogP3.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate 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

5-(Dimethoxyphosphoryl)-2-methylene-4-oxa-5-phenylpentanoic acid ethyl ester
CID 23064866
[4-ethoxycarbonyl-1-(2H-pyran-4-yl)pent-4-enyl]phosphonic acid
CID 23064868
[2-(1,3-Dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium
CID 67941067
Methyl 2-[2-(dimethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate
CID 88524276
Methyl 3-diethoxyphosphoryl-2-oxo-5,6,7,8-tetrahydrochromene-4-carboxylate
CID 10043094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate (CID 88524285) is methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate is CCOP(=O)(CC1=C(C(=COC)C(=O)OC)CCC1)OCC.
What is the InChIKey of methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate?
The InChIKey is WCWCRPNGGPTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O6P/c1-5-20-22(17,21-6-2)11-12-8-7-9-13(12)14(10-18-3)15(16)19-4/h10H,5-9,11H2,1-4H3.
What are the key properties of methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate?
methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate has a molecular weight of 332.33 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethoxyphosphorylmethyl)cyclopenten-1-yl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 88524285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).