CID 136675422

C13H30BP — CID 136675422

IUPAC—
SMILESC[B-][P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H30BP/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyUBOROBOMTFRWBC-UHFFFAOYSA-N
MW228.17 g/mol
LogP5.07
Rot. Bonds10

About CID 136675422

CID 136675422 (PubChem CID 136675422) has the molecular formula C13H30BP and a molecular weight of 228.17 g/mol.

Molecular Properties

Compound NameCID 136675422
PubChem CID136675422
Molecular FormulaC13H30BP
Molecular Weight228.17 g/mol
Exact Mass228.22
IUPAC Name—
SMILESC[B-][P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H30BP/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyUBOROBOMTFRWBC-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.17
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 136675423
CID 136675423
pentane-1,1-dithiol
CID 21192276
tributyl(methyl)phosphanium
CID 2760115
tetrabutylphosphanium;tin(4+)
CID 160650774
2-methylhexane;dihydrate
CID 155319003
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
5-fluorononane
CID 14113820
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(methyl)phosphanium iodide
CID 2760114

Frequently Asked Questions

What is the IUPAC name of CID 136675422?
The IUPAC name of CID 136675422 (CID 136675422) is not available.
What is the SMILES notation for CID 136675422?
The canonical SMILES for CID 136675422 is C[B-][P+](CCCC)(CCCC)CCCC.
What is the InChIKey of CID 136675422?
The InChIKey is UBOROBOMTFRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30BP/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3.
What are the key properties of CID 136675422?
CID 136675422 has a molecular weight of 228.17 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136675422 is sourced from PubChem (CID 136675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).