8,9-diheptylhenicosan-8-ylphosphane

C35H73P — CID 87777798

IUPAC8,9-diheptylhenicosan-8-ylphosphane
SMILESCCCCCCCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC
InChIInChI=1S/C35H73P/c1-5-9-13-17-18-19-20-21-23-27-31-34(30-26-22-14-10-6-2)35(36,32-28-24-15-11-7-3)33-29-25-16-12-8-4/h34H,5-33,36H2,1-4H3
InChIKeyJFPHMDDFYOYTDC-UHFFFAOYSA-N
MW524.94 g/mol
LogP13.61
Rot. Bonds30

About 8,9-diheptylhenicosan-8-ylphosphane

8,9-diheptylhenicosan-8-ylphosphane (PubChem CID 87777798) has the molecular formula C35H73P and a molecular weight of 524.94 g/mol. Its IUPAC name is 8,9-diheptylhenicosan-8-ylphosphane.

Molecular Properties

Compound Name8,9-diheptylhenicosan-8-ylphosphane
PubChem CID87777798
Molecular FormulaC35H73P
Molecular Weight524.94 g/mol
Exact Mass524.54
IUPAC Name8,9-diheptylhenicosan-8-ylphosphane
SMILESCCCCCCCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC
InChIInChI=1S/C35H73P/c1-5-9-13-17-18-19-20-21-23-27-31-34(30-26-22-14-10-6-2)35(36,32-28-24-15-11-7-3)33-29-25-16-12-8-4/h34H,5-33,36H2,1-4H3
InChIKeyJFPHMDDFYOYTDC-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.94
LogP ≤ 513.61
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
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 8,9-diheptylhenicosan-8-ylphosphane?
The IUPAC name of 8,9-diheptylhenicosan-8-ylphosphane (CID 87777798) is 8,9-diheptylhenicosan-8-ylphosphane.
What is the SMILES notation for 8,9-diheptylhenicosan-8-ylphosphane?
The canonical SMILES for 8,9-diheptylhenicosan-8-ylphosphane is CCCCCCCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC.
What is the InChIKey of 8,9-diheptylhenicosan-8-ylphosphane?
The InChIKey is JFPHMDDFYOYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73P/c1-5-9-13-17-18-19-20-21-23-27-31-34(30-26-22-14-10-6-2)35(36,32-28-24-15-11-7-3)33-29-25-16-12-8-4/h34H,5-33,36H2,1-4H3.
What are the key properties of 8,9-diheptylhenicosan-8-ylphosphane?
8,9-diheptylhenicosan-8-ylphosphane has a molecular weight of 524.94 g/mol, XLogP of 13.61, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diheptylhenicosan-8-ylphosphane is sourced from PubChem (CID 87777798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).