2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride

C11H22Cl3OP — CID 86732908

IUPAC2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride
SMILESCC(C)[P+](OC=C(Cl)Cl)(C(C)C)C(C)C.[Cl-]
InChIInChI=1S/C11H22Cl2OP.ClH/c1-8(2)15(9(3)4,10(5)6)14-7-11(12)13;/h7-10H,1-6H3;1H/q+1;/p-1
InChIKeyOWBUXDCZHVJNCP-UHFFFAOYSA-M
MW307.63 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride

2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride (PubChem CID 86732908) has the molecular formula C11H22Cl3OP and a molecular weight of 307.63 g/mol. Its IUPAC name is 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride.

Molecular Properties

Compound Name2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride
PubChem CID86732908
Molecular FormulaC11H22Cl3OP
Molecular Weight307.63 g/mol
Exact Mass306.05
IUPAC Name2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride
SMILESCC(C)[P+](OC=C(Cl)Cl)(C(C)C)C(C)C.[Cl-]
InChIInChI=1S/C11H22Cl2OP.ClH/c1-8(2)15(9(3)4,10(5)6)14-7-11(12)13;/h7-10H,1-6H3;1H/q+1;/p-1
InChIKeyOWBUXDCZHVJNCP-UHFFFAOYSA-M
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride?
The IUPAC name of 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride (CID 86732908) is 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride.
What is the SMILES notation for 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride?
The canonical SMILES for 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride is CC(C)[P+](OC=C(Cl)Cl)(C(C)C)C(C)C.[Cl-].
What is the InChIKey of 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride?
The InChIKey is OWBUXDCZHVJNCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22Cl2OP.ClH/c1-8(2)15(9(3)4,10(5)6)14-7-11(12)13;/h7-10H,1-6H3;1H/q+1;/p-1.
What are the key properties of 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride?
2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride has a molecular weight of 307.63 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethenoxy-tri(propan-2-yl)phosphanium chloride is sourced from PubChem (CID 86732908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).