1-dimethoxyphosphoryl-6-methylheptan-2-one

C10H21O4P — CID 15223968

IUPAC1-dimethoxyphosphoryl-6-methylheptan-2-one
SMILESCOP(=O)(CC(=O)CCCC(C)C)OC
InChIInChI=1S/C10H21O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h9H,5-8H2,1-4H3
InChIKeyOWTUAGFQGWALSI-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.87
Rot. Bonds8

About 1-dimethoxyphosphoryl-6-methylheptan-2-one

1-dimethoxyphosphoryl-6-methylheptan-2-one (PubChem CID 15223968) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-6-methylheptan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-6-methylheptan-2-one
PubChem CID15223968
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name1-dimethoxyphosphoryl-6-methylheptan-2-one
SMILESCOP(=O)(CC(=O)CCCC(C)C)OC
InChIInChI=1S/C10H21O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h9H,5-8H2,1-4H3
InChIKeyOWTUAGFQGWALSI-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.87
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-4,8-dimethylnonan-2-one
CID 22151517
1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
(7-methyl-2-oxooctyl)phosphonic acid
CID 87368556
(Z)-1-dimethoxyphosphoryloct-6-en-2-one
CID 71578686
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
CID 54140038
1-dimethoxyphosphoryloct-7-en-2-one
CID 15283785
1-dimethoxyphosphorylheptan-2-one;methyl hexanoate
CID 121271648
2,16-dimethylheptadecan-6-one
CID 158111781
1-dimethoxyphosphorylhex-5-yn-2-one
CID 126455142
1-hydroxy-8-methylnonan-4-one
CID 87402189
ethane;7-methyloctan-3-one
CID 142816942
2-methylundecan-6-one
CID 86122551

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-6-methylheptan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-6-methylheptan-2-one (CID 15223968) is 1-dimethoxyphosphoryl-6-methylheptan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-6-methylheptan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-6-methylheptan-2-one is COP(=O)(CC(=O)CCCC(C)C)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-6-methylheptan-2-one?
The InChIKey is OWTUAGFQGWALSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-6-methylheptan-2-one?
1-dimethoxyphosphoryl-6-methylheptan-2-one has a molecular weight of 236.25 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-6-methylheptan-2-one is sourced from PubChem (CID 15223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).