2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane

C9H20ClO4P — CID 10587339

IUPAC2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(COCCCl)OC(C)C
InChIInChI=1S/C9H20ClO4P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-9H,5-7H2,1-4H3
InChIKeyFLCGYFRJKHYTSU-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.24
Rot. Bonds8

About 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane

2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 10587339) has the molecular formula C9H20ClO4P and a molecular weight of 258.68 g/mol. Its IUPAC name is 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID10587339
Molecular FormulaC9H20ClO4P
Molecular Weight258.68 g/mol
Exact Mass258.08
IUPAC Name2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(COCCCl)OC(C)C
InChIInChI=1S/C9H20ClO4P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-9H,5-7H2,1-4H3
InChIKeyFLCGYFRJKHYTSU-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane with MolForge

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

Launch Full Analysis

Related Compounds

Tris(2-chloroisopropyl) phosphate
CID 26176
Tris(2-chloropropyl) phosphate
CID 22522
Phosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) ester
CID 93459
Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate
CID 22833419
Phosphonic acid, (2-chloro-1-methylethyl)-, bis(2-chloro-1-methylethyl) ester
CID 110959
Bis(2-chloro-1-methylethyl) 3-chloropropyl phosphate
CID 567457
Diethyl ((2-chloroethoxy)methyl)phosphonate
CID 10014096
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester
CID 567512
Bis(1-chloro-2-propyl)-3-(3-chloropropoxy)propyl phosphate
CID 587029
Diisopropyl-(2-chloroethyl)-phosphonate
CID 2773757
TetraiSopropyl (chloromethylene)bis(phosphonate)
CID 13479864
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane (CID 10587339) is 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(=O)(COCCCl)OC(C)C.
What is the InChIKey of 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is FLCGYFRJKHYTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClO4P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 258.68 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethoxymethyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 10587339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).