2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane

C8H17Cl2O3P — CID 71369544

IUPAC2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(Cl)CCl
InChIInChI=1S/C8H17Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h6-8H,5H2,1-4H3
InChIKeyKYOBMPRNLRENKH-UHFFFAOYSA-N
MW263.10 g/mol
LogP3.83
Rot. Bonds6

About 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane

2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 71369544) has the molecular formula C8H17Cl2O3P and a molecular weight of 263.10 g/mol. Its IUPAC name is 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID71369544
Molecular FormulaC8H17Cl2O3P
Molecular Weight263.10 g/mol
Exact Mass262.03
IUPAC Name2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(Cl)CCl
InChIInChI=1S/C8H17Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h6-8H,5H2,1-4H3
InChIKeyKYOBMPRNLRENKH-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 53.83
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
2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 135080812
Diisopropyl-(2-chloroethyl)-phosphonate
CID 2773757
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920
2-[[(Z)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 13501748
2-[(2-Chloro-1-iodoethyl)-propan-2-yloxyphosphoryl]oxypropane
CID 85941480
Dipropan-2-yl (1,2-dichloropropan-2-yl)phosphonate
CID 71319578
Bis(2-chloropropyl) (2-chloropropyl)phosphonate
CID 12499934
2-Chloroethyl(propan-2-yloxy)phosphinic acid
CID 14880432
Dibutyl (2-chloroethyl)phosphonate
CID 15324901
2-Chloro-1-[2-chloroethyl(2-chloropropoxy)phosphoryl]oxypropane
CID 53992260

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane (CID 71369544) is 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(Cl)CCl.
What is the InChIKey of 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is KYOBMPRNLRENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2O3P/c1-6(2)12-14(11,8(10)5-9)13-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 263.10 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dichloroethyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 71369544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).