(1-chloroethylideneamino) bis(2-methylpropyl) phosphate

C10H21ClNO4P — CID 71335703

IUPAC(1-chloroethylideneamino) bis(2-methylpropyl) phosphate
SMILESCC(Cl)=NOP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C10H21ClNO4P/c1-8(2)6-14-17(13,15-7-9(3)4)16-12-10(5)11/h8-9H,6-7H2,1-5H3
InChIKeyQOVPGANHPOXZHP-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.03
Rot. Bonds8

About (1-chloroethylideneamino) bis(2-methylpropyl) phosphate

(1-chloroethylideneamino) bis(2-methylpropyl) phosphate (PubChem CID 71335703) has the molecular formula C10H21ClNO4P and a molecular weight of 285.71 g/mol. Its IUPAC name is (1-chloroethylideneamino) bis(2-methylpropyl) phosphate.

Molecular Properties

Compound Name(1-chloroethylideneamino) bis(2-methylpropyl) phosphate
PubChem CID71335703
Molecular FormulaC10H21ClNO4P
Molecular Weight285.71 g/mol
Exact Mass285.09
IUPAC Name(1-chloroethylideneamino) bis(2-methylpropyl) phosphate
SMILESCC(Cl)=NOP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C10H21ClNO4P/c1-8(2)6-14-17(13,15-7-9(3)4)16-12-10(5)11/h8-9H,6-7H2,1-5H3
InChIKeyQOVPGANHPOXZHP-UHFFFAOYSA-N
XLogP4.03
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-chloroethylideneamino) bis(2-methylpropyl) phosphate?
The IUPAC name of (1-chloroethylideneamino) bis(2-methylpropyl) phosphate (CID 71335703) is (1-chloroethylideneamino) bis(2-methylpropyl) phosphate.
What is the SMILES notation for (1-chloroethylideneamino) bis(2-methylpropyl) phosphate?
The canonical SMILES for (1-chloroethylideneamino) bis(2-methylpropyl) phosphate is CC(Cl)=NOP(=O)(OCC(C)C)OCC(C)C.
What is the InChIKey of (1-chloroethylideneamino) bis(2-methylpropyl) phosphate?
The InChIKey is QOVPGANHPOXZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClNO4P/c1-8(2)6-14-17(13,15-7-9(3)4)16-12-10(5)11/h8-9H,6-7H2,1-5H3.
What are the key properties of (1-chloroethylideneamino) bis(2-methylpropyl) phosphate?
(1-chloroethylideneamino) bis(2-methylpropyl) phosphate has a molecular weight of 285.71 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroethylideneamino) bis(2-methylpropyl) phosphate is sourced from PubChem (CID 71335703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).