1-chloro-1-[ethoxy(methyl)phosphoryl]propane

C6H14ClO2P — CID 10750004

IUPAC1-chloro-1-[ethoxy(methyl)phosphoryl]propane
SMILESCCOP(C)(=O)C(Cl)CC
InChIInChI=1S/C6H14ClO2P/c1-4-6(7)10(3,8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyTUEILJUTNVWUCH-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.91
Rot. Bonds4

About 1-chloro-1-[ethoxy(methyl)phosphoryl]propane

1-chloro-1-[ethoxy(methyl)phosphoryl]propane (PubChem CID 10750004) has the molecular formula C6H14ClO2P and a molecular weight of 184.60 g/mol. Its IUPAC name is 1-chloro-1-[ethoxy(methyl)phosphoryl]propane.

Molecular Properties

Compound Name1-chloro-1-[ethoxy(methyl)phosphoryl]propane
PubChem CID10750004
Molecular FormulaC6H14ClO2P
Molecular Weight184.60 g/mol
Exact Mass184.04
IUPAC Name1-chloro-1-[ethoxy(methyl)phosphoryl]propane
SMILESCCOP(C)(=O)C(Cl)CC
InChIInChI=1S/C6H14ClO2P/c1-4-6(7)10(3,8)9-5-2/h6H,4-5H2,1-3H3
InChIKeyTUEILJUTNVWUCH-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-1-[ethoxy(methyl)phosphoryl]propane?
The IUPAC name of 1-chloro-1-[ethoxy(methyl)phosphoryl]propane (CID 10750004) is 1-chloro-1-[ethoxy(methyl)phosphoryl]propane.
What is the SMILES notation for 1-chloro-1-[ethoxy(methyl)phosphoryl]propane?
The canonical SMILES for 1-chloro-1-[ethoxy(methyl)phosphoryl]propane is CCOP(C)(=O)C(Cl)CC.
What is the InChIKey of 1-chloro-1-[ethoxy(methyl)phosphoryl]propane?
The InChIKey is TUEILJUTNVWUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2P/c1-4-6(7)10(3,8)9-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-chloro-1-[ethoxy(methyl)phosphoryl]propane?
1-chloro-1-[ethoxy(methyl)phosphoryl]propane has a molecular weight of 184.60 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[ethoxy(methyl)phosphoryl]propane is sourced from PubChem (CID 10750004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).