hexoxy-bis(hexylsulfanyl)phosphane

C18H39OPS2 — CID 87318864

IUPAChexoxy-bis(hexylsulfanyl)phosphane
SMILESCCCCCCOP(SCCCCCC)SCCCCCC
InChIInChI=1S/C18H39OPS2/c1-4-7-10-13-16-19-20(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKeyAVAFRIBLQLJWRZ-UHFFFAOYSA-N
MW366.62 g/mol
LogP8.44
Rot. Bonds18

About hexoxy-bis(hexylsulfanyl)phosphane

hexoxy-bis(hexylsulfanyl)phosphane (PubChem CID 87318864) has the molecular formula C18H39OPS2 and a molecular weight of 366.62 g/mol. Its IUPAC name is hexoxy-bis(hexylsulfanyl)phosphane.

Molecular Properties

Compound Namehexoxy-bis(hexylsulfanyl)phosphane
PubChem CID87318864
Molecular FormulaC18H39OPS2
Molecular Weight366.62 g/mol
Exact Mass366.22
IUPAC Namehexoxy-bis(hexylsulfanyl)phosphane
SMILESCCCCCCOP(SCCCCCC)SCCCCCC
InChIInChI=1S/C18H39OPS2/c1-4-7-10-13-16-19-20(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKeyAVAFRIBLQLJWRZ-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 58.44
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'}

Analyze hexoxy-bis(hexylsulfanyl)phosphane 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

diheptoxy(heptylsulfanyl)phosphane
CID 54315331
hexoxy(hexylsulfanyl)phosphinothious acid
CID 87318510
dichloro(heptylsulfanyl)phosphane
CID 23280615
diethyl(hexoxy)phosphane
CID 87283104
chloro(didodecoxy)phosphane
CID 54405346
triheptadecyl phosphite
CID 23435031
dibutoxy(butylsulfanyl)phosphane
CID 19799721
dodecyl 13-didodecoxyphosphanylsulfanyltridecanoate
CID 101318190
disodium;hexyl phosphite
CID 139691830
decoxy(octoxy)phosphinothious acid
CID 54152589
didecyl hydrogen phosphite
CID 14151265
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of hexoxy-bis(hexylsulfanyl)phosphane?
The IUPAC name of hexoxy-bis(hexylsulfanyl)phosphane (CID 87318864) is hexoxy-bis(hexylsulfanyl)phosphane.
What is the SMILES notation for hexoxy-bis(hexylsulfanyl)phosphane?
The canonical SMILES for hexoxy-bis(hexylsulfanyl)phosphane is CCCCCCOP(SCCCCCC)SCCCCCC.
What is the InChIKey of hexoxy-bis(hexylsulfanyl)phosphane?
The InChIKey is AVAFRIBLQLJWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39OPS2/c1-4-7-10-13-16-19-20(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3.
What are the key properties of hexoxy-bis(hexylsulfanyl)phosphane?
hexoxy-bis(hexylsulfanyl)phosphane has a molecular weight of 366.62 g/mol, XLogP of 8.44, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-bis(hexylsulfanyl)phosphane is sourced from PubChem (CID 87318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).