tripentadecan-6-yl phosphite

C45H93O3P — CID 87207088

IUPACtripentadecan-6-yl phosphite
SMILESCCCCCCCCCC(CCCCC)OP(OC(CCCCC)CCCCCCCCC)OC(CCCCC)CCCCCCCCC
InChIInChI=1S/C45H93O3P/c1-7-13-19-22-25-28-34-40-43(37-31-16-10-4)46-49(47-44(38-32-17-11-5)41-35-29-26-23-20-14-8-2)48-45(39-33-18-12-6)42-36-30-27-24-21-15-9-3/h43-45H,7-42H2,1-6H3
InChIKeySCXQPWXGEZXHCZ-UHFFFAOYSA-N
MW713.21 g/mol
LogP17.53
Rot. Bonds42

About tripentadecan-6-yl phosphite

tripentadecan-6-yl phosphite (PubChem CID 87207088) has the molecular formula C45H93O3P and a molecular weight of 713.21 g/mol. Its IUPAC name is tripentadecan-6-yl phosphite.

Molecular Properties

Compound Nametripentadecan-6-yl phosphite
PubChem CID87207088
Molecular FormulaC45H93O3P
Molecular Weight713.21 g/mol
Exact Mass712.69
IUPAC Nametripentadecan-6-yl phosphite
SMILESCCCCCCCCCC(CCCCC)OP(OC(CCCCC)CCCCCCCCC)OC(CCCCC)CCCCCCCCC
InChIInChI=1S/C45H93O3P/c1-7-13-19-22-25-28-34-40-43(37-31-16-10-4)46-49(47-44(38-32-17-11-5)41-35-29-26-23-20-14-8-2)48-45(39-33-18-12-6)42-36-30-27-24-21-15-9-3/h43-45H,7-42H2,1-6H3
InChIKeySCXQPWXGEZXHCZ-UHFFFAOYSA-N
XLogP17.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds42
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.21
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ditetracosan-12-yl hydrogen phosphite
CID 23465328
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
3-pentadecan-3-yloxypentadecane
CID 57200588
3-icosan-3-yloxyicosane
CID 22595200
(5S)-5-methoxyundecane
CID 118889956
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
4-icosan-4-yloxyicosane
CID 87313284
CID 23342512
CID 23342512
CID 87645522
CID 87645522
9-ethoxyoctadecane
CID 87148376
heptadecan-9-yloxytin(3+)
CID 23451604

Frequently Asked Questions

What is the IUPAC name of tripentadecan-6-yl phosphite?
The IUPAC name of tripentadecan-6-yl phosphite (CID 87207088) is tripentadecan-6-yl phosphite.
What is the SMILES notation for tripentadecan-6-yl phosphite?
The canonical SMILES for tripentadecan-6-yl phosphite is CCCCCCCCCC(CCCCC)OP(OC(CCCCC)CCCCCCCCC)OC(CCCCC)CCCCCCCCC.
What is the InChIKey of tripentadecan-6-yl phosphite?
The InChIKey is SCXQPWXGEZXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H93O3P/c1-7-13-19-22-25-28-34-40-43(37-31-16-10-4)46-49(47-44(38-32-17-11-5)41-35-29-26-23-20-14-8-2)48-45(39-33-18-12-6)42-36-30-27-24-21-15-9-3/h43-45H,7-42H2,1-6H3.
What are the key properties of tripentadecan-6-yl phosphite?
tripentadecan-6-yl phosphite has a molecular weight of 713.21 g/mol, XLogP of 17.53, 42 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripentadecan-6-yl phosphite is sourced from PubChem (CID 87207088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).