1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane

C10H22BrO3P — CID 14869915

IUPAC1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane
SMILESCC(C)OP(=O)(OC(C)C)C(Br)C(C)C
InChIInChI=1S/C10H22BrO3P/c1-7(2)10(11)15(12,13-8(3)4)14-9(5)6/h7-10H,1-6H3
InChIKeyYAKMBOLDEISQAZ-UHFFFAOYSA-N
MW301.16 g/mol
LogP4.41
Rot. Bonds6

About 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane

1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane (PubChem CID 14869915) has the molecular formula C10H22BrO3P and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane.

Molecular Properties

Compound Name1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane
PubChem CID14869915
Molecular FormulaC10H22BrO3P
Molecular Weight301.16 g/mol
Exact Mass300.05
IUPAC Name1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane
SMILESCC(C)OP(=O)(OC(C)C)C(Br)C(C)C
InChIInChI=1S/C10H22BrO3P/c1-7(2)10(11)15(12,13-8(3)4)14-9(5)6/h7-10H,1-6H3
InChIKeyYAKMBOLDEISQAZ-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane?
The IUPAC name of 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane (CID 14869915) is 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane.
What is the SMILES notation for 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane?
The canonical SMILES for 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane is CC(C)OP(=O)(OC(C)C)C(Br)C(C)C.
What is the InChIKey of 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane?
The InChIKey is YAKMBOLDEISQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrO3P/c1-7(2)10(11)15(12,13-8(3)4)14-9(5)6/h7-10H,1-6H3.
What are the key properties of 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane?
1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane has a molecular weight of 301.16 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-di(propan-2-yloxy)phosphoryl-2-methylpropane is sourced from PubChem (CID 14869915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).