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

C8H18ClOP — CID 545432

IUPAC2-[tert-butyl(chloro)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClOP/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3
InChIKeyMRJHDJDCKDZZOC-UHFFFAOYSA-N
MW196.66 g/mol
LogP4.10
Rot. Bonds

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

2-[tert-butyl(chloro)phosphoryl]-2-methylpropane (PubChem CID 545432) has the molecular formula C8H18ClOP and a molecular weight of 196.66 g/mol. Its IUPAC name is 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[tert-butyl(chloro)phosphoryl]-2-methylpropane
PubChem CID545432
Molecular FormulaC8H18ClOP
Molecular Weight196.66 g/mol
Exact Mass196.08
IUPAC Name2-[tert-butyl(chloro)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClOP/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3
InChIKeyMRJHDJDCKDZZOC-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane (CID 545432) is 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane is CC(C)(C)P(=O)(Cl)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The InChIKey is MRJHDJDCKDZZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClOP/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3.
What are the key properties of 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
2-[tert-butyl(chloro)phosphoryl]-2-methylpropane has a molecular weight of 196.66 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(chloro)phosphoryl]-2-methylpropane is sourced from PubChem (CID 545432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).