8,9-diheptylhexadecan-8-ylphosphane;hydroiodide

C30H64IP — CID 173157506

IUPAC8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
SMILESCCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC.I
InChIInChI=1S/C30H63P.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2)30(31,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h29H,5-28,31H2,1-4H3;1H
InChIKeyYUQKNLGOMOSKLP-UHFFFAOYSA-N
MW582.72 g/mol
LogP12.28
Rot. Bonds25

About 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide

8,9-diheptylhexadecan-8-ylphosphane;hydroiodide (PubChem CID 173157506) has the molecular formula C30H64IP and a molecular weight of 582.72 g/mol. Its IUPAC name is 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide.

Molecular Properties

Compound Name8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
PubChem CID173157506
Molecular FormulaC30H64IP
Molecular Weight582.72 g/mol
Exact Mass582.38
IUPAC Name8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
SMILESCCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC.I
InChIInChI=1S/C30H63P.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2)30(31,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h29H,5-28,31H2,1-4H3;1H
InChIKeyYUQKNLGOMOSKLP-UHFFFAOYSA-N
XLogP12.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.72
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813

Frequently Asked Questions

What is the IUPAC name of 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide?
The IUPAC name of 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide (CID 173157506) is 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide.
What is the SMILES notation for 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide?
The canonical SMILES for 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide is CCCCCCCC(CCCCCCC)C(P)(CCCCCCC)CCCCCCC.I.
What is the InChIKey of 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide?
The InChIKey is YUQKNLGOMOSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63P.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2)30(31,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h29H,5-28,31H2,1-4H3;1H.
What are the key properties of 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide?
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide has a molecular weight of 582.72 g/mol, XLogP of 12.28, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diheptylhexadecan-8-ylphosphane;hydroiodide is sourced from PubChem (CID 173157506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).