1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one

C14H29O4P — CID 23002211

IUPAC1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one
SMILESCC(C)C(=O)P(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C14H29O4P/c1-11(2)12(15)19(16,17-9-13(3,4)5)18-10-14(6,7)8/h11H,9-10H2,1-8H3
InChIKeyZIIVUCVDIDJHRT-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.49
Rot. Bonds6

About 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one

1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one (PubChem CID 23002211) has the molecular formula C14H29O4P and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one
PubChem CID23002211
Molecular FormulaC14H29O4P
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one
SMILESCC(C)C(=O)P(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C14H29O4P/c1-11(2)12(15)19(16,17-9-13(3,4)5)18-10-14(6,7)8/h11H,9-10H2,1-8H3
InChIKeyZIIVUCVDIDJHRT-UHFFFAOYSA-N
XLogP4.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one?
The IUPAC name of 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one (CID 23002211) is 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one?
The canonical SMILES for 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one is CC(C)C(=O)P(=O)(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one?
The InChIKey is ZIIVUCVDIDJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O4P/c1-11(2)12(15)19(16,17-9-13(3,4)5)18-10-14(6,7)8/h11H,9-10H2,1-8H3.
What are the key properties of 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one?
1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one has a molecular weight of 292.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one is sourced from PubChem (CID 23002211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).