1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one

C11H23O4P — CID 71386041

IUPAC1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCCCOP(=O)(OCCC)C(=O)C(C)(C)C
InChIInChI=1S/C11H23O4P/c1-6-8-14-16(13,15-9-7-2)10(12)11(3,4)5/h6-9H2,1-5H3
InChIKeyLJPZIMFZPKWXSN-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.61
Rot. Bonds7

About 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one

1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one (PubChem CID 71386041) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one
PubChem CID71386041
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCCCOP(=O)(OCCC)C(=O)C(C)(C)C
InChIInChI=1S/C11H23O4P/c1-6-8-14-16(13,15-9-7-2)10(12)11(3,4)5/h6-9H2,1-5H3
InChIKeyLJPZIMFZPKWXSN-UHFFFAOYSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.61
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

2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
1-[bis(2,2-dimethylpropanoyl)phosphoryl]-2,2-dimethylpropan-1-one
CID 19696892
propyl dihydrogen phosphate;urea
CID 88818408
prop-2-ynyl dipropoxyphosphorylformate
CID 140749152
tert-butyl 2-amino-2-dipropoxyphosphorylacetate
CID 54263371
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
dipropoxyphosphoryl hydrogen carbonate
CID 175546987
2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid
CID 24938426
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
1-[bis(2,2-dimethylpropoxy)phosphoryl]propan-1-one
CID 23002160
3-dipropoxyphosphorylpropanoic acid
CID 34250012
butoxy(tert-butyl)phosphinic acid
CID 15271226

Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one (CID 71386041) is 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one is CCCOP(=O)(OCCC)C(=O)C(C)(C)C.
What is the InChIKey of 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one?
The InChIKey is LJPZIMFZPKWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-6-8-14-16(13,15-9-7-2)10(12)11(3,4)5/h6-9H2,1-5H3.
What are the key properties of 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one?
1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one has a molecular weight of 250.27 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71386041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).