[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium

C14H22O6P+ — CID 67941067

IUPAC[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium
SMILESCOC=C(C(=O)OC)C1=C(C[P+](=O)OCCOC)CCC1
InChIInChI=1S/C14H22O6P/c1-17-7-8-20-21(16)10-11-5-4-6-12(11)13(9-18-2)14(15)19-3/h9H,4-8,10H2,1-3H3/q+1
InChIKeyZUESGFRSTYKXNV-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.58
Rot. Bonds9

About [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium

[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium (PubChem CID 67941067) has the molecular formula C14H22O6P+ and a molecular weight of 317.30 g/mol. Its IUPAC name is [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium.

Molecular Properties

Compound Name[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium
PubChem CID67941067
Molecular FormulaC14H22O6P+
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium
SMILESCOC=C(C(=O)OC)C1=C(C[P+](=O)OCCOC)CCC1
InChIInChI=1S/C14H22O6P/c1-17-7-8-20-21(16)10-11-5-4-6-12(11)13(9-18-2)14(15)19-3/h9H,4-8,10H2,1-3H3/q+1
InChIKeyZUESGFRSTYKXNV-UHFFFAOYSA-N
XLogP2.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium?
The IUPAC name of [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium (CID 67941067) is [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium.
What is the SMILES notation for [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium?
The canonical SMILES for [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium is COC=C(C(=O)OC)C1=C(C[P+](=O)OCCOC)CCC1.
What is the InChIKey of [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium?
The InChIKey is ZUESGFRSTYKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6P/c1-17-7-8-20-21(16)10-11-5-4-6-12(11)13(9-18-2)14(15)19-3/h9H,4-8,10H2,1-3H3/q+1.
What are the key properties of [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium?
[2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium has a molecular weight of 317.30 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)cyclopenten-1-yl]methyl-(2-methoxyethoxy)-oxophosphanium is sourced from PubChem (CID 67941067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).