(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide

C17H38BrP — CID 173157813

IUPAC(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
SMILESBr.CCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C17H37P.BrH/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15,18H2,1-4H3;1H
InChIKeyZXVWEVFRVGAEEK-UHFFFAOYSA-N
MW353.37 g/mol
LogP7.17
Rot. Bonds12

About (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide

(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide (PubChem CID 173157813) has the molecular formula C17H38BrP and a molecular weight of 353.37 g/mol. Its IUPAC name is (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide.

Molecular Properties

Compound Name(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
PubChem CID173157813
Molecular FormulaC17H38BrP
Molecular Weight353.37 g/mol
Exact Mass352.19
IUPAC Name(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
SMILESBr.CCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C17H37P.BrH/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15,18H2,1-4H3;1H
InChIKeyZXVWEVFRVGAEEK-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 57.17
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

5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969

Frequently Asked Questions

What is the IUPAC name of (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide?
The IUPAC name of (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide (CID 173157813) is (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide.
What is the SMILES notation for (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide?
The canonical SMILES for (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide is Br.CCCCC(CCC)C(P)(CCCC)CCCC.
What is the InChIKey of (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide?
The InChIKey is ZXVWEVFRVGAEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37P.BrH/c1-5-9-13-16(12-8-4)17(18,14-10-6-2)15-11-7-3;/h16H,5-15,18H2,1-4H3;1H.
What are the key properties of (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide?
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide has a molecular weight of 353.37 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide is sourced from PubChem (CID 173157813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).