CID 135084279

C5H12BClO2P+ — CID 135084279

IUPAC—
SMILES[B][P+](CCl)(OCC)OCC
InChIInChI=1S/C5H12BClO2P/c1-3-8-10(6,5-7)9-4-2/h3-5H2,1-2H3/q+1
InChIKeyQZCVXXXEYVALNU-UHFFFAOYSA-N
MW181.39 g/mol
LogP2.19
Rot. Bonds5

About CID 135084279

CID 135084279 (PubChem CID 135084279) has the molecular formula C5H12BClO2P+ and a molecular weight of 181.39 g/mol.

Molecular Properties

Compound NameCID 135084279
PubChem CID135084279
Molecular FormulaC5H12BClO2P+
Molecular Weight181.39 g/mol
Exact Mass181.04
IUPAC Name—
SMILES[B][P+](CCl)(OCC)OCC
InChIInChI=1S/C5H12BClO2P/c1-3-8-10(6,5-7)9-4-2/h3-5H2,1-2H3/q+1
InChIKeyQZCVXXXEYVALNU-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium
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1,1-diethoxyethane
CID 7765
1-chloro-4-ethoxypentane
CID 90797429
chloromethyl(diethoxymethoxy)silane
CID 172996461
1-(2-chloro-1-ethoxyethyl)aziridine
CID 567818
chlorodiethoxymethylsilane
CID 18330713
3-chloroprop-1-ene;ethoxyethane
CID 88697114
1-(1-ethoxyethoxy)ethyl-diethylsulfanium
CID 87508381

Frequently Asked Questions

What is the IUPAC name of CID 135084279?
The IUPAC name of CID 135084279 (CID 135084279) is not available.
What is the SMILES notation for CID 135084279?
The canonical SMILES for CID 135084279 is [B][P+](CCl)(OCC)OCC.
What is the InChIKey of CID 135084279?
The InChIKey is QZCVXXXEYVALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BClO2P/c1-3-8-10(6,5-7)9-4-2/h3-5H2,1-2H3/q+1.
What are the key properties of CID 135084279?
CID 135084279 has a molecular weight of 181.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135084279 is sourced from PubChem (CID 135084279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).