2-methyl-2-phosphorosopropane

C4H9OP — CID 12869886

IUPAC2-methyl-2-phosphorosopropane
SMILESCC(C)(C)P=O
InChIInChI=1S/C4H9OP/c1-4(2,3)6-5/h1-3H3
InChIKeyLEMMIECRSVUFRH-UHFFFAOYSA-N
MW104.09 g/mol
LogP2.08
Rot. Bonds

About 2-methyl-2-phosphorosopropane

2-methyl-2-phosphorosopropane (PubChem CID 12869886) has the molecular formula C4H9OP and a molecular weight of 104.09 g/mol. Its IUPAC name is 2-methyl-2-phosphorosopropane.

Molecular Properties

Compound Name2-methyl-2-phosphorosopropane
PubChem CID12869886
Molecular FormulaC4H9OP
Molecular Weight104.09 g/mol
Exact Mass104.04
IUPAC Name2-methyl-2-phosphorosopropane
SMILESCC(C)(C)P=O
InChIInChI=1S/C4H9OP/c1-4(2,3)6-5/h1-3H3
InChIKeyLEMMIECRSVUFRH-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.09
LogP ≤ 52.08
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-methyl-2-phosphorosopropane?
The IUPAC name of 2-methyl-2-phosphorosopropane (CID 12869886) is 2-methyl-2-phosphorosopropane.
What is the SMILES notation for 2-methyl-2-phosphorosopropane?
The canonical SMILES for 2-methyl-2-phosphorosopropane is CC(C)(C)P=O.
What is the InChIKey of 2-methyl-2-phosphorosopropane?
The InChIKey is LEMMIECRSVUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OP/c1-4(2,3)6-5/h1-3H3.
What are the key properties of 2-methyl-2-phosphorosopropane?
2-methyl-2-phosphorosopropane has a molecular weight of 104.09 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phosphorosopropane is sourced from PubChem (CID 12869886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).