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

C9H19Cl2O3P — CID 71319578

IUPAC1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane
SMILESCC(C)OP(=O)(OC(C)C)C(C)(Cl)CCl
InChIInChI=1S/C9H19Cl2O3P/c1-7(2)13-15(12,14-8(3)4)9(5,11)6-10/h7-8H,6H2,1-5H3
InChIKeyPBXRVMNYDXVWFH-UHFFFAOYSA-N
MW277.13 g/mol
LogP4.22
Rot. Bonds6

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

1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane (PubChem CID 71319578) has the molecular formula C9H19Cl2O3P and a molecular weight of 277.13 g/mol. Its IUPAC name is 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane.

Molecular Properties

Compound Name1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane
PubChem CID71319578
Molecular FormulaC9H19Cl2O3P
Molecular Weight277.13 g/mol
Exact Mass276.04
IUPAC Name1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane
SMILESCC(C)OP(=O)(OC(C)C)C(C)(Cl)CCl
InChIInChI=1S/C9H19Cl2O3P/c1-7(2)13-15(12,14-8(3)4)9(5,11)6-10/h7-8H,6H2,1-5H3
InChIKeyPBXRVMNYDXVWFH-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane?
The IUPAC name of 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane (CID 71319578) is 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane.
What is the SMILES notation for 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane?
The canonical SMILES for 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane is CC(C)OP(=O)(OC(C)C)C(C)(Cl)CCl.
What is the InChIKey of 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane?
The InChIKey is PBXRVMNYDXVWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2O3P/c1-7(2)13-15(12,14-8(3)4)9(5,11)6-10/h7-8H,6H2,1-5H3.
What are the key properties of 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane?
1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane has a molecular weight of 277.13 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-2-di(propan-2-yloxy)phosphorylpropane is sourced from PubChem (CID 71319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).