2-diethoxyphosphorylcyclopentan-1-one

C9H17O4P — CID 10466036

IUPAC2-diethoxyphosphorylcyclopentan-1-one
SMILESCCOP(=O)(OCC)C1CCCC1=O
InChIInChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8(9)10/h9H,3-7H2,1-2H3
InChIKeyUPZGMBZVQRAJMW-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.37
Rot. Bonds5

About 2-diethoxyphosphorylcyclopentan-1-one

2-diethoxyphosphorylcyclopentan-1-one (PubChem CID 10466036) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-diethoxyphosphorylcyclopentan-1-one.

Molecular Properties

Compound Name2-diethoxyphosphorylcyclopentan-1-one
PubChem CID10466036
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2-diethoxyphosphorylcyclopentan-1-one
SMILESCCOP(=O)(OCC)C1CCCC1=O
InChIInChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8(9)10/h9H,3-7H2,1-2H3
InChIKeyUPZGMBZVQRAJMW-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-oxoheptyl phosphonate
CID 10857882
Diethyl (2-oxocyclohexyl)phosphonate
CID 11075336
Diethyl (3-oxobutyl)phosphonate
CID 14033
Diethyl (2-oxobutyl)phosphonate
CID 4662402
Phosphonic acid, (1-methyl-2-oxopropyl)-, diethyl ester
CID 10878355
2-Diethoxyphosphoryl-2-fluorocyclopentan-1-one
CID 12187446
2-Diethoxyphosphorylhexan-3-one
CID 10933467
2-Diethoxyphosphorylpentan-3-one
CID 13642670
Diethylphosphonoacetylacetone
CID 14225956
Dimethyl (2-oxohexyl)phosphonate
CID 10889105
3-Diethoxyphosphorylpentan-2-one
CID 10900195
Phosphonic acid, (2-oxohexyl)-, diethyl ester
CID 10977428

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylcyclopentan-1-one?
The IUPAC name of 2-diethoxyphosphorylcyclopentan-1-one (CID 10466036) is 2-diethoxyphosphorylcyclopentan-1-one.
What is the SMILES notation for 2-diethoxyphosphorylcyclopentan-1-one?
The canonical SMILES for 2-diethoxyphosphorylcyclopentan-1-one is CCOP(=O)(OCC)C1CCCC1=O.
What is the InChIKey of 2-diethoxyphosphorylcyclopentan-1-one?
The InChIKey is UPZGMBZVQRAJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8(9)10/h9H,3-7H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylcyclopentan-1-one?
2-diethoxyphosphorylcyclopentan-1-one has a molecular weight of 220.20 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylcyclopentan-1-one is sourced from PubChem (CID 10466036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).