12-chlorododecyl dihydrogen phosphite

C12H26ClO3P — CID 154205511

IUPAC12-chlorododecyl dihydrogen phosphite
SMILESOP(O)OCCCCCCCCCCCCCl
InChIInChI=1S/C12H26ClO3P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h14-15H,1-12H2
InChIKeyCAYNATRWZHQELQ-UHFFFAOYSA-N
MW284.76 g/mol
LogP4.35
Rot. Bonds13

About 12-chlorododecyl dihydrogen phosphite

12-chlorododecyl dihydrogen phosphite (PubChem CID 154205511) has the molecular formula C12H26ClO3P and a molecular weight of 284.76 g/mol. Its IUPAC name is 12-chlorododecyl dihydrogen phosphite.

Molecular Properties

Compound Name12-chlorododecyl dihydrogen phosphite
PubChem CID154205511
Molecular FormulaC12H26ClO3P
Molecular Weight284.76 g/mol
Exact Mass284.13
IUPAC Name12-chlorododecyl dihydrogen phosphite
SMILESOP(O)OCCCCCCCCCCCCCl
InChIInChI=1S/C12H26ClO3P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h14-15H,1-12H2
InChIKeyCAYNATRWZHQELQ-UHFFFAOYSA-N
XLogP4.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-chlorododecyl dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-chlorododecyl dihydrogen phosphite?
The IUPAC name of 12-chlorododecyl dihydrogen phosphite (CID 154205511) is 12-chlorododecyl dihydrogen phosphite.
What is the SMILES notation for 12-chlorododecyl dihydrogen phosphite?
The canonical SMILES for 12-chlorododecyl dihydrogen phosphite is OP(O)OCCCCCCCCCCCCCl.
What is the InChIKey of 12-chlorododecyl dihydrogen phosphite?
The InChIKey is CAYNATRWZHQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClO3P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h14-15H,1-12H2.
What are the key properties of 12-chlorododecyl dihydrogen phosphite?
12-chlorododecyl dihydrogen phosphite has a molecular weight of 284.76 g/mol, XLogP of 4.35, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorododecyl dihydrogen phosphite is sourced from PubChem (CID 154205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).