1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane

C9H19Cl2O3P — CID 10956789

IUPAC1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane
SMILESCCC(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19Cl2O3P/c1-6-9(10,11)15(12,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3
InChIKeyNJKQJVOOLXUZLE-UHFFFAOYSA-N
MW277.13 g/mol
LogP4.57
Rot. Bonds6

About 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane

1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane (PubChem CID 10956789) has the molecular formula C9H19Cl2O3P and a molecular weight of 277.13 g/mol. Its IUPAC name is 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane.

Molecular Properties

Compound Name1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane
PubChem CID10956789
Molecular FormulaC9H19Cl2O3P
Molecular Weight277.13 g/mol
Exact Mass276.04
IUPAC Name1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane
SMILESCCC(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19Cl2O3P/c1-6-9(10,11)15(12,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3
InChIKeyNJKQJVOOLXUZLE-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 54.57
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

2-((Dichloro-di(propan-2-yloxy)phosphorylmethyl)-propan-2-yloxyphosphoryl)oxypropane
CID 4193748
Phosphonic acid, (2-chloro-1-methylethyl)-, bis(2-chloro-1-methylethyl) ester
CID 110959
Propan-2-yl hydrogen [{bis[(propan-2-yl)oxy]phosphoryl}(dichloro)methyl]phosphonate
CID 10480808
Phosphonic acid, (5,5,5-trichloropentyl)-, diethyl ester
CID 3046597
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920
2-[1-Chloroethenyl(propan-2-yloxy)phosphoryl]oxypropane
CID 85941489
2-[Methyl(2,2,2-trichloroethoxy)phosphoryl]oxypropane
CID 299576
Dipropan-2-yl (1,2-dichloropropan-2-yl)phosphonate
CID 71319578
Phosphonic acid, (trichloromethyl)-, bis(1-methylethyl) ester
CID 10945966
Dibutan-2-yl 2,2-dichloroethenyl phosphate
CID 20396735
Sodium [dichloro-di(propan-2-yloxy)phosphorylmethyl]-propan-2-yloxyphosphinate
CID 23722539
Bis(4-chlorobutan-2-yloxy)-oxophosphanium
CID 87664965

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane?
The IUPAC name of 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane (CID 10956789) is 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane.
What is the SMILES notation for 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane?
The canonical SMILES for 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane is CCC(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane?
The InChIKey is NJKQJVOOLXUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2O3P/c1-6-9(10,11)15(12,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane?
1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane has a molecular weight of 277.13 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-di(propan-2-yloxy)phosphorylpropane is sourced from PubChem (CID 10956789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).