1-dimethoxyphosphoryl-6-ethoxyhexan-2-one

C10H21O5P — CID 54140038

IUPAC1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
SMILESCCOCCCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H21O5P/c1-4-15-8-6-5-7-10(11)9-16(12,13-2)14-3/h4-9H2,1-3H3
InChIKeyOALKJIODVAUAIR-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.25
Rot. Bonds10

About 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one

1-dimethoxyphosphoryl-6-ethoxyhexan-2-one (PubChem CID 54140038) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
PubChem CID54140038
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
SMILESCCOCCCCC(=O)CP(=O)(OC)OC
InChIInChI=1S/C10H21O5P/c1-4-15-8-6-5-7-10(11)9-16(12,13-2)14-3/h4-9H2,1-3H3
InChIKeyOALKJIODVAUAIR-UHFFFAOYSA-N
XLogP2.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphorylpentadecan-2-one
CID 11013076
1,9-diethoxynonan-5-one
CID 150666797
1-dimethoxyphosphorylheptan-2-one;methyl hexanoate
CID 121271648
1-dimethoxyphosphoryloct-7-en-2-one
CID 15283785
1-dimethoxyphosphoryl-6-methylheptan-2-one
CID 15223968
9-ethoxynonane-2,5-dione
CID 13027943
(Z)-1-dimethoxyphosphoryloct-6-en-2-one
CID 71578686
(E)-8-dimethoxyphosphoryl-7-oxooct-2-enoic acid
CID 59558908
5-ethoxypentaneperoxoic acid
CID 59169108
1-dimethoxyphosphoryloctan-3-one
CID 102517826
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
8-ethoxy-6-oxooctanoic acid
CID 154310113

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one (CID 54140038) is 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one is CCOCCCCC(=O)CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one?
The InChIKey is OALKJIODVAUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c1-4-15-8-6-5-7-10(11)9-16(12,13-2)14-3/h4-9H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one?
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one has a molecular weight of 252.25 g/mol, XLogP of 2.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-6-ethoxyhexan-2-one is sourced from PubChem (CID 54140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).