1-dimethoxyphosphoryl-6-methylhept-5-en-2-one

C10H19O4P — CID 13267135

IUPAC1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
SMILESCOP(=O)(CC(=O)CCC=C(C)C)OC
InChIInChI=1S/C10H19O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h6H,5,7-8H2,1-4H3
InChIKeyFVCIHPMLFAPOHX-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.79
Rot. Bonds7

About 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one

1-dimethoxyphosphoryl-6-methylhept-5-en-2-one (PubChem CID 13267135) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
PubChem CID13267135
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
SMILESCOP(=O)(CC(=O)CCC=C(C)C)OC
InChIInChI=1S/C10H19O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h6H,5,7-8H2,1-4H3
InChIKeyFVCIHPMLFAPOHX-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
CID 10362671
(E)-8-dimethoxyphosphoryl-7-oxooct-2-enoic acid
CID 59558908
methyl 5-methylhex-4-enoate
CID 10909672
1,1-dimethoxy-8-methylnon-7-en-4-one
CID 13308241
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
CID 54299779
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
CID 54140038
[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate
CID 12949387
1-dimethoxyphosphorylheptan-2-one;methyl hexanoate
CID 121271648
methyl 4-dimethoxyphosphoryl-3-methylbut-2-enoate
CID 54369846
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137
(E)-1-dimethoxyphosphoryl-3-fluorohept-3-en-2-one
CID 89415689

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one (CID 13267135) is 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one is COP(=O)(CC(=O)CCC=C(C)C)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one?
The InChIKey is FVCIHPMLFAPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h6H,5,7-8H2,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one?
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one has a molecular weight of 234.23 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-6-methylhept-5-en-2-one is sourced from PubChem (CID 13267135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).