7,8-dihexylicosan-7-ylphosphane;hydrochloride

C32H68ClP — CID 173004507

IUPAC7,8-dihexylicosan-7-ylphosphane;hydrochloride
SMILESCCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC.Cl
InChIInChI=1S/C32H67P.ClH/c1-5-9-13-17-18-19-20-21-22-24-28-31(27-23-14-10-6-2)32(33,29-25-15-11-7-3)30-26-16-12-8-4;/h31H,5-30,33H2,1-4H3;1H
InChIKeyFTOCOXJQFZFGLY-UHFFFAOYSA-N
MW519.32 g/mol
LogP12.86
Rot. Bonds27

About 7,8-dihexylicosan-7-ylphosphane;hydrochloride

7,8-dihexylicosan-7-ylphosphane;hydrochloride (PubChem CID 173004507) has the molecular formula C32H68ClP and a molecular weight of 519.32 g/mol. Its IUPAC name is 7,8-dihexylicosan-7-ylphosphane;hydrochloride.

Molecular Properties

Compound Name7,8-dihexylicosan-7-ylphosphane;hydrochloride
PubChem CID173004507
Molecular FormulaC32H68ClP
Molecular Weight519.32 g/mol
Exact Mass518.47
IUPAC Name7,8-dihexylicosan-7-ylphosphane;hydrochloride
SMILESCCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC.Cl
InChIInChI=1S/C32H67P.ClH/c1-5-9-13-17-18-19-20-21-22-24-28-31(27-23-14-10-6-2)32(33,29-25-15-11-7-3)30-26-16-12-8-4;/h31H,5-30,33H2,1-4H3;1H
InChIKeyFTOCOXJQFZFGLY-UHFFFAOYSA-N
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.32
LogP ≤ 512.86
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-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
(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
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
(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
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
CID 173157963

Frequently Asked Questions

What is the IUPAC name of 7,8-dihexylicosan-7-ylphosphane;hydrochloride?
The IUPAC name of 7,8-dihexylicosan-7-ylphosphane;hydrochloride (CID 173004507) is 7,8-dihexylicosan-7-ylphosphane;hydrochloride.
What is the SMILES notation for 7,8-dihexylicosan-7-ylphosphane;hydrochloride?
The canonical SMILES for 7,8-dihexylicosan-7-ylphosphane;hydrochloride is CCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC.Cl.
What is the InChIKey of 7,8-dihexylicosan-7-ylphosphane;hydrochloride?
The InChIKey is FTOCOXJQFZFGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67P.ClH/c1-5-9-13-17-18-19-20-21-22-24-28-31(27-23-14-10-6-2)32(33,29-25-15-11-7-3)30-26-16-12-8-4;/h31H,5-30,33H2,1-4H3;1H.
What are the key properties of 7,8-dihexylicosan-7-ylphosphane;hydrochloride?
7,8-dihexylicosan-7-ylphosphane;hydrochloride has a molecular weight of 519.32 g/mol, XLogP of 12.86, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihexylicosan-7-ylphosphane;hydrochloride is sourced from PubChem (CID 173004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).