7,8-dihexylheptadecan-7-ylphosphane;hydrobromide

C29H62BrP — CID 173157969

IUPAC7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
SMILESBr.CCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC
InChIInChI=1S/C29H61P.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H
InChIKeyQVWHCKSTMJZVPC-UHFFFAOYSA-N
MW521.69 g/mol
LogP11.85
Rot. Bonds24

About 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide

7,8-dihexylheptadecan-7-ylphosphane;hydrobromide (PubChem CID 173157969) has the molecular formula C29H62BrP and a molecular weight of 521.69 g/mol. Its IUPAC name is 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide.

Molecular Properties

Compound Name7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
PubChem CID173157969
Molecular FormulaC29H62BrP
Molecular Weight521.69 g/mol
Exact Mass520.38
IUPAC Name7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
SMILESBr.CCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC
InChIInChI=1S/C29H61P.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H
InChIKeyQVWHCKSTMJZVPC-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800

Frequently Asked Questions

What is the IUPAC name of 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide?
The IUPAC name of 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide (CID 173157969) is 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide.
What is the SMILES notation for 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide?
The canonical SMILES for 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide is Br.CCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC.
What is the InChIKey of 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide?
The InChIKey is QVWHCKSTMJZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61P.BrH/c1-5-9-13-17-18-19-21-25-28(24-20-14-10-6-2)29(30,26-22-15-11-7-3)27-23-16-12-8-4;/h28H,5-27,30H2,1-4H3;1H.
What are the key properties of 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide?
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide has a molecular weight of 521.69 g/mol, XLogP of 11.85, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihexylheptadecan-7-ylphosphane;hydrobromide is sourced from PubChem (CID 173157969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).