1-dimethylphosphoryloxy-2-methylpropane

C6H15O2P — CID 4188612

IUPAC1-dimethylphosphoryloxy-2-methylpropane
SMILESCC(C)COP(C)(C)=O
InChIInChI=1S/C6H15O2P/c1-6(2)5-8-9(3,4)7/h6H,5H2,1-4H3
InChIKeyXAZJFCQCYNQNBH-UHFFFAOYSA-N
MW150.16 g/mol
LogP2.20
Rot. Bonds3

About 1-dimethylphosphoryloxy-2-methylpropane

1-dimethylphosphoryloxy-2-methylpropane (PubChem CID 4188612) has the molecular formula C6H15O2P and a molecular weight of 150.16 g/mol. Its IUPAC name is 1-dimethylphosphoryloxy-2-methylpropane.

Molecular Properties

Compound Name1-dimethylphosphoryloxy-2-methylpropane
PubChem CID4188612
Molecular FormulaC6H15O2P
Molecular Weight150.16 g/mol
Exact Mass150.08
IUPAC Name1-dimethylphosphoryloxy-2-methylpropane
SMILESCC(C)COP(C)(C)=O
InChIInChI=1S/C6H15O2P/c1-6(2)5-8-9(3,4)7/h6H,5H2,1-4H3
InChIKeyXAZJFCQCYNQNBH-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethylphosphoryloxy-2-methylpropane?
The IUPAC name of 1-dimethylphosphoryloxy-2-methylpropane (CID 4188612) is 1-dimethylphosphoryloxy-2-methylpropane.
What is the SMILES notation for 1-dimethylphosphoryloxy-2-methylpropane?
The canonical SMILES for 1-dimethylphosphoryloxy-2-methylpropane is CC(C)COP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryloxy-2-methylpropane?
The InChIKey is XAZJFCQCYNQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2P/c1-6(2)5-8-9(3,4)7/h6H,5H2,1-4H3.
What are the key properties of 1-dimethylphosphoryloxy-2-methylpropane?
1-dimethylphosphoryloxy-2-methylpropane has a molecular weight of 150.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxy-2-methylpropane is sourced from PubChem (CID 4188612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).