heptatriacontan-19-ylphosphane

C37H77P — CID 18405829

IUPACheptatriacontan-19-ylphosphane
SMILESCCCCCCCCCCCCCCCCCCC(P)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3
InChIKeyGDOADKQXVIPFDW-UHFFFAOYSA-N
MW553.00 g/mol
LogP14.53
Rot. Bonds34

About heptatriacontan-19-ylphosphane

heptatriacontan-19-ylphosphane (PubChem CID 18405829) has the molecular formula C37H77P and a molecular weight of 553.00 g/mol. Its IUPAC name is heptatriacontan-19-ylphosphane.

Molecular Properties

Compound Nameheptatriacontan-19-ylphosphane
PubChem CID18405829
Molecular FormulaC37H77P
Molecular Weight553.00 g/mol
Exact Mass552.58
IUPAC Nameheptatriacontan-19-ylphosphane
SMILESCCCCCCCCCCCCCCCCCCC(P)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3
InChIKeyGDOADKQXVIPFDW-UHFFFAOYSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.00
LogP ≤ 514.53
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

dodecan-6-ylphosphane
CID 88935198
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CID 175556620
1-phosphanylundecylphosphane
CID 23414194
heptadecan-2-ylphosphane
CID 154117788
pentadecan-2-ylphosphane
CID 154118597
2-methylnonan-4-ylphosphane
CID 141377925
decan-2-ylphosphane;thulium
CID 87745416
1-phosphanylhexadecan-1-ol
CID 174908486
1-phosphanyltridecan-1-ol
CID 174895856
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
docosane-10,11-dithiol
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hexadecane-6,7-dithiol
CID 91163003

Frequently Asked Questions

What is the IUPAC name of heptatriacontan-19-ylphosphane?
The IUPAC name of heptatriacontan-19-ylphosphane (CID 18405829) is heptatriacontan-19-ylphosphane.
What is the SMILES notation for heptatriacontan-19-ylphosphane?
The canonical SMILES for heptatriacontan-19-ylphosphane is CCCCCCCCCCCCCCCCCCC(P)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of heptatriacontan-19-ylphosphane?
The InChIKey is GDOADKQXVIPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3.
What are the key properties of heptatriacontan-19-ylphosphane?
heptatriacontan-19-ylphosphane has a molecular weight of 553.00 g/mol, XLogP of 14.53, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriacontan-19-ylphosphane is sourced from PubChem (CID 18405829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).