1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one

C13H27O4P — CID 22151517

IUPAC1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one
SMILESCOP(=O)(CC(=O)CC(C)CCCC(C)C)OC
InChIInChI=1S/C13H27O4P/c1-11(2)7-6-8-12(3)9-13(14)10-18(15,16-4)17-5/h11-12H,6-10H2,1-5H3
InChIKeyIKFDIQIQTKQILV-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.89
Rot. Bonds10

About 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one

1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one (PubChem CID 22151517) has the molecular formula C13H27O4P and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one
PubChem CID22151517
Molecular FormulaC13H27O4P
Molecular Weight278.33 g/mol
Exact Mass278.16
IUPAC Name1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one
SMILESCOP(=O)(CC(=O)CC(C)CCCC(C)C)OC
InChIInChI=1S/C13H27O4P/c1-11(2)7-6-8-12(3)9-13(14)10-18(15,16-4)17-5/h11-12H,6-10H2,1-5H3
InChIKeyIKFDIQIQTKQILV-UHFFFAOYSA-N
XLogP3.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.89
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

1-dimethoxyphosphoryl-6-methylheptan-2-one
CID 15223968
methyl (5R)-5,9-dimethyl-3-oxodecanoate
CID 14369249
(4S)-1-dimethoxyphosphoryl-4-methyl-7-trimethylsilylhept-6-yn-2-one
CID 23636318
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-4-methyloctan-2-one
CID 132568350
sodium 3,7,11-trimethyldodecanoate
CID 23693334
3,11-dimethyldodecanoyl 3,11-dimethyldodecanoate
CID 175237310
2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate
CID 166695343
[(2S)-3-hydroxy-2-methylpropyl] 3,7-dimethyloctanoate
CID 10377179
1-methoxy-4,8-dimethylnonane
CID 90974533
1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
1-dimethoxyphosphoryl-3-fluorononan-2-one
CID 15003083
6,10-dimethylpentadecan-8-one
CID 150688801

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one (CID 22151517) is 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one is COP(=O)(CC(=O)CC(C)CCCC(C)C)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one?
The InChIKey is IKFDIQIQTKQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O4P/c1-11(2)7-6-8-12(3)9-13(14)10-18(15,16-4)17-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one?
1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one has a molecular weight of 278.33 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-4,8-dimethylnonan-2-one is sourced from PubChem (CID 22151517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).