8-dodecoxydodecyl diphenyl phosphite

C36H59O4P — CID 101311946

IUPAC8-dodecoxydodecyl diphenyl phosphite
SMILESCCCCCCCCCCCCOC(CCCC)CCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H59O4P/c1-3-5-7-8-9-10-11-12-15-24-32-37-34(26-6-4-2)27-19-14-13-16-25-33-38-41(39-35-28-20-17-21-29-35)40-36-30-22-18-23-31-36/h17-18,20-23,28-31,34H,3-16,19,24-27,32-33H2,1-2H3
InChIKeyWDICBRWZSKRVSW-UHFFFAOYSA-N
MW586.84 g/mol
LogP12.22
Rot. Bonds28

About 8-dodecoxydodecyl diphenyl phosphite

8-dodecoxydodecyl diphenyl phosphite (PubChem CID 101311946) has the molecular formula C36H59O4P and a molecular weight of 586.84 g/mol. Its IUPAC name is 8-dodecoxydodecyl diphenyl phosphite.

Molecular Properties

Compound Name8-dodecoxydodecyl diphenyl phosphite
PubChem CID101311946
Molecular FormulaC36H59O4P
Molecular Weight586.84 g/mol
Exact Mass586.42
IUPAC Name8-dodecoxydodecyl diphenyl phosphite
SMILESCCCCCCCCCCCCOC(CCCC)CCCCCCCOP(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H59O4P/c1-3-5-7-8-9-10-11-12-15-24-32-37-34(26-6-4-2)27-19-14-13-16-25-33-38-41(39-35-28-20-17-21-29-35)40-36-30-22-18-23-31-36/h17-18,20-23,28-31,34H,3-16,19,24-27,32-33H2,1-2H3
InChIKeyWDICBRWZSKRVSW-UHFFFAOYSA-N
XLogP12.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.84
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 8-dodecoxydodecyl diphenyl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
diphenyl 2-undecoxyundecyl phosphite
CID 101311940
phenyl bis(2-undecoxyundecyl) phosphite
CID 101311877
bis(2-decoxydecyl) phenyl phosphite
CID 101311866
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
1-octoxyoctyl diphenyl phosphite
CID 101311911
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
cyclohexyl phenyl undecyl phosphite
CID 101312055
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056

Frequently Asked Questions

What is the IUPAC name of 8-dodecoxydodecyl diphenyl phosphite?
The IUPAC name of 8-dodecoxydodecyl diphenyl phosphite (CID 101311946) is 8-dodecoxydodecyl diphenyl phosphite.
What is the SMILES notation for 8-dodecoxydodecyl diphenyl phosphite?
The canonical SMILES for 8-dodecoxydodecyl diphenyl phosphite is CCCCCCCCCCCCOC(CCCC)CCCCCCCOP(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 8-dodecoxydodecyl diphenyl phosphite?
The InChIKey is WDICBRWZSKRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59O4P/c1-3-5-7-8-9-10-11-12-15-24-32-37-34(26-6-4-2)27-19-14-13-16-25-33-38-41(39-35-28-20-17-21-29-35)40-36-30-22-18-23-31-36/h17-18,20-23,28-31,34H,3-16,19,24-27,32-33H2,1-2H3.
What are the key properties of 8-dodecoxydodecyl diphenyl phosphite?
8-dodecoxydodecyl diphenyl phosphite has a molecular weight of 586.84 g/mol, XLogP of 12.22, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dodecoxydodecyl diphenyl phosphite is sourced from PubChem (CID 101311946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).