5-dimethoxyphosphorylcyclopenta-1,3-diene

C7H11O3P — CID 15846309

IUPAC5-dimethoxyphosphorylcyclopenta-1,3-diene
SMILESCOP(=O)(OC)C1C=CC=C1
InChIInChI=1S/C7H11O3P/c1-9-11(8,10-2)7-5-3-4-6-7/h3-7H,1-2H3
InChIKeyKEVCLBDWCMZKIQ-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.97
Rot. Bonds3

About 5-dimethoxyphosphorylcyclopenta-1,3-diene

5-dimethoxyphosphorylcyclopenta-1,3-diene (PubChem CID 15846309) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is 5-dimethoxyphosphorylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-dimethoxyphosphorylcyclopenta-1,3-diene
PubChem CID15846309
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Name5-dimethoxyphosphorylcyclopenta-1,3-diene
SMILESCOP(=O)(OC)C1C=CC=C1
InChIInChI=1S/C7H11O3P/c1-9-11(8,10-2)7-5-3-4-6-7/h3-7H,1-2H3
InChIKeyKEVCLBDWCMZKIQ-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Phospholene, 1-ethoxy-3-methyl-, 1-oxide
CID 205862
7-Dimethoxyphosphorylcyclohepta-1,3,5-triene
CID 13683623
[(3E)-hexa-3,5-dienoxy]-methylphosphinate
CID 20726646
Ethoxy-oxo-pent-3-enylphosphanium
CID 86743313
ethoxy-oxo-[(E)-pent-3-enyl]phosphanium
CID 88619017
(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene
CID 88857368
1-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
5-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89702958
Cyclopenta-1,3-diene;ethylphosphonic acid
CID 123279176
(3E,7E,9E)-11-diethoxyphosphorylundeca-1,3,7,9-tetraene
CID 11500170
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
Cyclopenta-2,4-dien-1-yl(diethoxy)phosphane
CID 14092722

Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphorylcyclopenta-1,3-diene?
The IUPAC name of 5-dimethoxyphosphorylcyclopenta-1,3-diene (CID 15846309) is 5-dimethoxyphosphorylcyclopenta-1,3-diene.
What is the SMILES notation for 5-dimethoxyphosphorylcyclopenta-1,3-diene?
The canonical SMILES for 5-dimethoxyphosphorylcyclopenta-1,3-diene is COP(=O)(OC)C1C=CC=C1.
What is the InChIKey of 5-dimethoxyphosphorylcyclopenta-1,3-diene?
The InChIKey is KEVCLBDWCMZKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3P/c1-9-11(8,10-2)7-5-3-4-6-7/h3-7H,1-2H3.
What are the key properties of 5-dimethoxyphosphorylcyclopenta-1,3-diene?
5-dimethoxyphosphorylcyclopenta-1,3-diene has a molecular weight of 174.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphorylcyclopenta-1,3-diene is sourced from PubChem (CID 15846309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).