dibutyl(hexan-3-yl)phosphane;hydrobromide

C14H32BrP — CID 172717533

IUPACdibutyl(hexan-3-yl)phosphane;hydrobromide
SMILESBr.CCCCP(CCCC)C(CC)CCC
InChIInChI=1S/C14H31P.BrH/c1-5-9-12-15(13-10-6-2)14(8-4)11-7-3;/h14H,5-13H2,1-4H3;1H
InChIKeyGBKCBTPQWFXUTJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP6.23
Rot. Bonds10

About dibutyl(hexan-3-yl)phosphane;hydrobromide

dibutyl(hexan-3-yl)phosphane;hydrobromide (PubChem CID 172717533) has the molecular formula C14H32BrP and a molecular weight of 311.29 g/mol. Its IUPAC name is dibutyl(hexan-3-yl)phosphane;hydrobromide.

Molecular Properties

Compound Namedibutyl(hexan-3-yl)phosphane;hydrobromide
PubChem CID172717533
Molecular FormulaC14H32BrP
Molecular Weight311.29 g/mol
Exact Mass310.14
IUPAC Namedibutyl(hexan-3-yl)phosphane;hydrobromide
SMILESBr.CCCCP(CCCC)C(CC)CCC
InChIInChI=1S/C14H31P.BrH/c1-5-9-12-15(13-10-6-2)14(8-4)11-7-3;/h14H,5-13H2,1-4H3;1H
InChIKeyGBKCBTPQWFXUTJ-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.29
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decan-3-yl(dioctyl)phosphane
CID 150488617
diheptyl(pentan-3-yl)phosphane
CID 87508325
dihexyl(nonan-4-yl)phosphane
CID 172773657
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
dodecan-5-yl(dioctyl)phosphane
CID 172795592
diethyl(octan-4-yl)phosphane
CID 150705111
1-dibutylphosphanylpropan-1-ol
CID 89485556
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
1-dibutylphosphanylethanol
CID 89485463
methyl-di(octan-4-yl)phosphane
CID 22497740
ethyl-di(octan-4-yl)phosphane
CID 22497528

Frequently Asked Questions

What is the IUPAC name of dibutyl(hexan-3-yl)phosphane;hydrobromide?
The IUPAC name of dibutyl(hexan-3-yl)phosphane;hydrobromide (CID 172717533) is dibutyl(hexan-3-yl)phosphane;hydrobromide.
What is the SMILES notation for dibutyl(hexan-3-yl)phosphane;hydrobromide?
The canonical SMILES for dibutyl(hexan-3-yl)phosphane;hydrobromide is Br.CCCCP(CCCC)C(CC)CCC.
What is the InChIKey of dibutyl(hexan-3-yl)phosphane;hydrobromide?
The InChIKey is GBKCBTPQWFXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P.BrH/c1-5-9-12-15(13-10-6-2)14(8-4)11-7-3;/h14H,5-13H2,1-4H3;1H.
What are the key properties of dibutyl(hexan-3-yl)phosphane;hydrobromide?
dibutyl(hexan-3-yl)phosphane;hydrobromide has a molecular weight of 311.29 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(hexan-3-yl)phosphane;hydrobromide is sourced from PubChem (CID 172717533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).