1-dimethoxyphosphoryloct-7-en-2-one

C10H19O4P — CID 15283785

IUPAC1-dimethoxyphosphoryloct-7-en-2-one
SMILESC=CCCCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4H,1,5-9H2,2-3H3
InChIKeySMECDCGSHNJFMN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.79
Rot. Bonds9

About 1-dimethoxyphosphoryloct-7-en-2-one

1-dimethoxyphosphoryloct-7-en-2-one (PubChem CID 15283785) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-dimethoxyphosphoryloct-7-en-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryloct-7-en-2-one
PubChem CID15283785
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-dimethoxyphosphoryloct-7-en-2-one
SMILESC=CCCCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4H,1,5-9H2,2-3H3
InChIKeySMECDCGSHNJFMN-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Di(propan-2-yloxy)phosphorylhept-6-en-2-one
CID 12602070
5-Diethoxyphosphoryloct-7-en-4-one
CID 101010575
(E)-11-diethoxyphosphorylundec-10-enal
CID 134934474
3-Diethoxyphosphorylnon-1-en-4-one
CID 100967858
1-Dimethoxyphosphorylhex-5-en-2-one
CID 10750768
1-Dimethoxyphosphoryl-8-methylnon-7-en-2-one
CID 13188926
(4S)-1-dimethoxyphosphoryl-4-methyloct-7-en-2-one
CID 15003284
1-Dimethoxyphosphoryl-3-methyloct-7-en-2-one
CID 15612285
Dimethyl 2-oxo-6-heptenylphosphonate
CID 15780216
2-Oxooct-7-enylphosphonic acid
CID 18990279
1-Dimethoxyphosphoryl-4-methyloct-7-en-2-one
CID 19865932
Dimethyl (3,3-dimethyl-2-oxooct-7-en-1-yl)phosphonate
CID 20132557

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryloct-7-en-2-one?
The IUPAC name of 1-dimethoxyphosphoryloct-7-en-2-one (CID 15283785) is 1-dimethoxyphosphoryloct-7-en-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryloct-7-en-2-one?
The canonical SMILES for 1-dimethoxyphosphoryloct-7-en-2-one is C=CCCCCC(=O)CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryloct-7-en-2-one?
The InChIKey is SMECDCGSHNJFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4H,1,5-9H2,2-3H3.
What are the key properties of 1-dimethoxyphosphoryloct-7-en-2-one?
1-dimethoxyphosphoryloct-7-en-2-one has a molecular weight of 234.23 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryloct-7-en-2-one is sourced from PubChem (CID 15283785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).