1-[chloro(methyl)phosphoryl]oxy-2-methylpropane

C5H12ClO2P — CID 12516309

IUPAC1-[chloro(methyl)phosphoryl]oxy-2-methylpropane
SMILESCC(C)COP(C)(=O)Cl
InChIInChI=1S/C5H12ClO2P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3
InChIKeyUXUIKCHOYNLUID-UHFFFAOYSA-N
MW170.58 g/mol
LogP2.72
Rot. Bonds3

About 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane

1-[chloro(methyl)phosphoryl]oxy-2-methylpropane (PubChem CID 12516309) has the molecular formula C5H12ClO2P and a molecular weight of 170.58 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]oxy-2-methylpropane
PubChem CID12516309
Molecular FormulaC5H12ClO2P
Molecular Weight170.58 g/mol
Exact Mass170.03
IUPAC Name1-[chloro(methyl)phosphoryl]oxy-2-methylpropane
SMILESCC(C)COP(C)(=O)Cl
InChIInChI=1S/C5H12ClO2P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3
InChIKeyUXUIKCHOYNLUID-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.58
LogP ≤ 52.72
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-[chloro(methyl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane (CID 12516309) is 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane is CC(C)COP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane?
The InChIKey is UXUIKCHOYNLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane?
1-[chloro(methyl)phosphoryl]oxy-2-methylpropane has a molecular weight of 170.58 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 12516309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).