2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane

C9H20BrOP — CID 59576311

IUPAC2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(CBr)C(C)(C)C
InChIInChI=1S/C9H20BrOP/c1-8(2,3)12(11,7-10)9(4,5)6/h7H2,1-6H3
InChIKeyNMIYPIPOLWYZIQ-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.30
Rot. Bonds1

About 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane

2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane (PubChem CID 59576311) has the molecular formula C9H20BrOP and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
PubChem CID59576311
Molecular FormulaC9H20BrOP
Molecular Weight255.14 g/mol
Exact Mass254.04
IUPAC Name2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(CBr)C(C)(C)C
InChIInChI=1S/C9H20BrOP/c1-8(2,3)12(11,7-10)9(4,5)6/h7H2,1-6H3
InChIKeyNMIYPIPOLWYZIQ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane (CID 59576311) is 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane is CC(C)(C)P(=O)(CBr)C(C)(C)C.
What is the InChIKey of 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane?
The InChIKey is NMIYPIPOLWYZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrOP/c1-8(2,3)12(11,7-10)9(4,5)6/h7H2,1-6H3.
What are the key properties of 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane?
2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane has a molecular weight of 255.14 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane is sourced from PubChem (CID 59576311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).