(Z)-1-dimethoxyphosphoryloct-6-en-2-one

C10H19O4P — CID 71578686

IUPAC(Z)-1-dimethoxyphosphoryloct-6-en-2-one
SMILESC/C=C\CCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4-5H,6-9H2,1-3H3/b5-4-
InChIKeyJPZIMEBRDOPCBT-PLNGDYQASA-N
MW234.23 g/mol
LogP2.79
Rot. Bonds8

About (Z)-1-dimethoxyphosphoryloct-6-en-2-one

(Z)-1-dimethoxyphosphoryloct-6-en-2-one (PubChem CID 71578686) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is (Z)-1-dimethoxyphosphoryloct-6-en-2-one.

Molecular Properties

Compound Name(Z)-1-dimethoxyphosphoryloct-6-en-2-one
PubChem CID71578686
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name(Z)-1-dimethoxyphosphoryloct-6-en-2-one
SMILESC/C=C\CCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4-5H,6-9H2,1-3H3/b5-4-
InChIKeyJPZIMEBRDOPCBT-PLNGDYQASA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

(E)-8-dimethoxyphosphoryl-7-oxooct-2-enoic acid
CID 59558908
1-dimethoxyphosphoryloct-7-en-2-one
CID 15283785
1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
CID 13267135
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
CID 54140038
non-7-en-3-one
CID 56994302
1-dimethoxyphosphorylheptan-2-one;methyl hexanoate
CID 121271648
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
1-dimethoxyphosphorylhex-5-yn-2-one
CID 126455142
methyl undeca-5,9-dienoate
CID 57288687
heptadec-2-en-7-one
CID 54227331
(E)-hept-5-enamide
CID 18415105

Frequently Asked Questions

What is the IUPAC name of (Z)-1-dimethoxyphosphoryloct-6-en-2-one?
The IUPAC name of (Z)-1-dimethoxyphosphoryloct-6-en-2-one (CID 71578686) is (Z)-1-dimethoxyphosphoryloct-6-en-2-one.
What is the SMILES notation for (Z)-1-dimethoxyphosphoryloct-6-en-2-one?
The canonical SMILES for (Z)-1-dimethoxyphosphoryloct-6-en-2-one is C/C=C\CCCC(=O)CP(=O)(OC)OC.
What is the InChIKey of (Z)-1-dimethoxyphosphoryloct-6-en-2-one?
The InChIKey is JPZIMEBRDOPCBT-PLNGDYQASA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4-5H,6-9H2,1-3H3/b5-4-.
What are the key properties of (Z)-1-dimethoxyphosphoryloct-6-en-2-one?
(Z)-1-dimethoxyphosphoryloct-6-en-2-one has a molecular weight of 234.23 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-dimethoxyphosphoryloct-6-en-2-one is sourced from PubChem (CID 71578686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).