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

C8H18ClO3P — CID 2773757

IUPAC2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CCCl)OC(C)C
InChIInChI=1S/C8H18ClO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUCSODMVCOIWLQR-UHFFFAOYSA-N
MW228.66 g/mol
LogP3.27
Rot. Bonds6

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

2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 2773757) has the molecular formula C8H18ClO3P and a molecular weight of 228.66 g/mol. Its IUPAC name is 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID2773757
Molecular FormulaC8H18ClO3P
Molecular Weight228.66 g/mol
Exact Mass228.07
IUPAC Name2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CCCl)OC(C)C
InChIInChI=1S/C8H18ClO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUCSODMVCOIWLQR-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (2-chloro-1-methylethyl)-, bis(2-chloro-1-methylethyl) ester
CID 110959
Bis(3-chloropropyl)(3-chloropropyl)phosphonate
CID 237876
1-Chloro-3-diethoxyphosphoryl-propane
CID 13323297
2-Oxo-2-(4'-chlorobutyl)-4,5-dimethyl-1,3,2-dioxaphospholane
CID 129809045
2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 135080812
Di-(2-propyl)-2-chloroethoxymethylphosphonate
CID 10587339
Dipropan-2-yl(chloromethyl)phosphonate
CID 249433
TetraiSopropyl (chloromethylene)bis(phosphonate)
CID 13479864
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920
2-[[(Z)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 13501748
Dipropan-2-yl (1,2-dichloroethyl)phosphonate
CID 71369544
2-[(1-Bromo-2-chloroethyl)-propan-2-yloxyphosphoryl]oxypropane
CID 85941476

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane (CID 2773757) is 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(=O)(CCCl)OC(C)C.
What is the InChIKey of 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is UCSODMVCOIWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 228.66 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 2773757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).