7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one

C12H19O4P — CID 15348719

IUPAC7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one
SMILESCCOP(=O)(OCC)C1=CCC2(CCC2)C1=O
InChIInChI=1S/C12H19O4P/c1-3-15-17(14,16-4-2)10-6-9-12(11(10)13)7-5-8-12/h6H,3-5,7-9H2,1-2H3
InChIKeyMGFKUCPWOJDHIQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.28
Rot. Bonds5

About 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one

7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one (PubChem CID 15348719) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one.

Molecular Properties

Compound Name7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one
PubChem CID15348719
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one
SMILESCCOP(=O)(OCC)C1=CCC2(CCC2)C1=O
InChIInChI=1S/C12H19O4P/c1-3-15-17(14,16-4-2)10-6-9-12(11(10)13)7-5-8-12/h6H,3-5,7-9H2,1-2H3
InChIKeyMGFKUCPWOJDHIQ-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.28
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

2-diethoxyphosphoryl-5,5-dimethylcyclopent-2-en-1-one
CID 13431507
(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene
CID 134975350
CID 11461408
CID 11461408
1-diethoxyphosphoryl-5-methylcyclopentene
CID 11160270
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
CID 2773704
2-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepine
CID 5325113
1-diethoxyphosphoryl-4-methylcyclohexene
CID 12856524
5-(4-bromophenyl)-4-diethoxyphosphoryl-1,3-oxazole
CID 101424669

Frequently Asked Questions

What is the IUPAC name of 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one?
The IUPAC name of 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one (CID 15348719) is 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one.
What is the SMILES notation for 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one?
The canonical SMILES for 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one is CCOP(=O)(OCC)C1=CCC2(CCC2)C1=O.
What is the InChIKey of 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one?
The InChIKey is MGFKUCPWOJDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-3-15-17(14,16-4-2)10-6-9-12(11(10)13)7-5-8-12/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one?
7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one has a molecular weight of 258.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diethoxyphosphorylspiro[3.4]oct-6-en-8-one is sourced from PubChem (CID 15348719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).