butyl-dichloro-hydroxyphosphanium

C4H10Cl2OP+ — CID 87591858

IUPACbutyl-dichloro-hydroxyphosphanium
SMILESCCCC[P+](O)(Cl)Cl
InChIInChI=1S/C4H10Cl2OP/c1-2-3-4-8(5,6)7/h7H,2-4H2,1H3/q+1
InChIKeyKCPWFZFLSUVNJL-UHFFFAOYSA-N
MW176.00 g/mol
LogP3.02
Rot. Bonds3

About butyl-dichloro-hydroxyphosphanium

butyl-dichloro-hydroxyphosphanium (PubChem CID 87591858) has the molecular formula C4H10Cl2OP+ and a molecular weight of 176.00 g/mol. Its IUPAC name is butyl-dichloro-hydroxyphosphanium.

Molecular Properties

Compound Namebutyl-dichloro-hydroxyphosphanium
PubChem CID87591858
Molecular FormulaC4H10Cl2OP+
Molecular Weight176.00 g/mol
Exact Mass174.98
IUPAC Namebutyl-dichloro-hydroxyphosphanium
SMILESCCCC[P+](O)(Cl)Cl
InChIInChI=1S/C4H10Cl2OP/c1-2-3-4-8(5,6)7/h7H,2-4H2,1H3/q+1
InChIKeyKCPWFZFLSUVNJL-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-dichloro-hydroxyphosphanium?
The IUPAC name of butyl-dichloro-hydroxyphosphanium (CID 87591858) is butyl-dichloro-hydroxyphosphanium.
What is the SMILES notation for butyl-dichloro-hydroxyphosphanium?
The canonical SMILES for butyl-dichloro-hydroxyphosphanium is CCCC[P+](O)(Cl)Cl.
What is the InChIKey of butyl-dichloro-hydroxyphosphanium?
The InChIKey is KCPWFZFLSUVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2OP/c1-2-3-4-8(5,6)7/h7H,2-4H2,1H3/q+1.
What are the key properties of butyl-dichloro-hydroxyphosphanium?
butyl-dichloro-hydroxyphosphanium has a molecular weight of 176.00 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dichloro-hydroxyphosphanium is sourced from PubChem (CID 87591858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).