7,8-dihexylicosan-7-ylphosphane

C32H67P — CID 18442252

IUPAC7,8-dihexylicosan-7-ylphosphane
SMILESCCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC
InChIInChI=1S/C32H67P/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
InChIKeyHWHADTRTTSQUTJ-UHFFFAOYSA-N
MW482.86 g/mol
LogP12.44
Rot. Bonds27

About 7,8-dihexylicosan-7-ylphosphane

7,8-dihexylicosan-7-ylphosphane (PubChem CID 18442252) has the molecular formula C32H67P and a molecular weight of 482.86 g/mol. Its IUPAC name is 7,8-dihexylicosan-7-ylphosphane.

Molecular Properties

Compound Name7,8-dihexylicosan-7-ylphosphane
PubChem CID18442252
Molecular FormulaC32H67P
Molecular Weight482.86 g/mol
Exact Mass482.50
IUPAC Name7,8-dihexylicosan-7-ylphosphane
SMILESCCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC
InChIInChI=1S/C32H67P/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
InChIKeyHWHADTRTTSQUTJ-UHFFFAOYSA-N
XLogP12.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.86
LogP ≤ 512.44
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

9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
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
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813

Frequently Asked Questions

What is the IUPAC name of 7,8-dihexylicosan-7-ylphosphane?
The IUPAC name of 7,8-dihexylicosan-7-ylphosphane (CID 18442252) is 7,8-dihexylicosan-7-ylphosphane.
What is the SMILES notation for 7,8-dihexylicosan-7-ylphosphane?
The canonical SMILES for 7,8-dihexylicosan-7-ylphosphane is CCCCCCCCCCCCC(CCCCCC)C(P)(CCCCCC)CCCCCC.
What is the InChIKey of 7,8-dihexylicosan-7-ylphosphane?
The InChIKey is HWHADTRTTSQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67P/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.
What are the key properties of 7,8-dihexylicosan-7-ylphosphane?
7,8-dihexylicosan-7-ylphosphane has a molecular weight of 482.86 g/mol, XLogP of 12.44, 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 is sourced from PubChem (CID 18442252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).