didodecoxy(diphenyl)-λ4-sulfane

C36H60O2S — CID 70369394

IUPACdidodecoxy(diphenyl)-λ4-sulfane
SMILESCCCCCCCCCCCCOS(OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H60O2S/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3
InChIKeyFDNDTKSWBOEFOV-UHFFFAOYSA-N
MW556.94 g/mol
LogP12.61
Rot. Bonds26

About didodecoxy(diphenyl)-λ4-sulfane

didodecoxy(diphenyl)-λ4-sulfane (PubChem CID 70369394) has the molecular formula C36H60O2S and a molecular weight of 556.94 g/mol. Its IUPAC name is didodecoxy(diphenyl)-λ4-sulfane.

Molecular Properties

Compound Namedidodecoxy(diphenyl)-λ4-sulfane
PubChem CID70369394
Molecular FormulaC36H60O2S
Molecular Weight556.94 g/mol
Exact Mass556.43
IUPAC Namedidodecoxy(diphenyl)-λ4-sulfane
SMILESCCCCCCCCCCCCOS(OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H60O2S/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3
InChIKeyFDNDTKSWBOEFOV-UHFFFAOYSA-N
XLogP12.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.94
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze didodecoxy(diphenyl)-λ4-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of didodecoxy(diphenyl)-λ4-sulfane?
The IUPAC name of didodecoxy(diphenyl)-λ4-sulfane (CID 70369394) is didodecoxy(diphenyl)-λ4-sulfane.
What is the SMILES notation for didodecoxy(diphenyl)-λ4-sulfane?
The canonical SMILES for didodecoxy(diphenyl)-λ4-sulfane is CCCCCCCCCCCCOS(OCCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of didodecoxy(diphenyl)-λ4-sulfane?
The InChIKey is FDNDTKSWBOEFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60O2S/c1-3-5-7-9-11-13-15-17-19-27-33-37-39(35-29-23-21-24-30-35,36-31-25-22-26-32-36)38-34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32H,3-20,27-28,33-34H2,1-2H3.
What are the key properties of didodecoxy(diphenyl)-λ4-sulfane?
didodecoxy(diphenyl)-λ4-sulfane has a molecular weight of 556.94 g/mol, XLogP of 12.61, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for didodecoxy(diphenyl)-λ4-sulfane is sourced from PubChem (CID 70369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).