8-(oxolan-2-yl)octyl-dipropylsulfanium

C18H37OS+ — CID 23326640

IUPAC8-(oxolan-2-yl)octyl-dipropylsulfanium
SMILESCCC[S+](CCC)CCCCCCCCC1CCCO1
InChIInChI=1S/C18H37OS/c1-3-15-20(16-4-2)17-10-8-6-5-7-9-12-18-13-11-14-19-18/h18H,3-17H2,1-2H3/q+1
InChIKeyDDMOZQUSSNTWOZ-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.33
Rot. Bonds13

About 8-(oxolan-2-yl)octyl-dipropylsulfanium

8-(oxolan-2-yl)octyl-dipropylsulfanium (PubChem CID 23326640) has the molecular formula C18H37OS+ and a molecular weight of 301.56 g/mol. Its IUPAC name is 8-(oxolan-2-yl)octyl-dipropylsulfanium.

Molecular Properties

Compound Name8-(oxolan-2-yl)octyl-dipropylsulfanium
PubChem CID23326640
Molecular FormulaC18H37OS+
Molecular Weight301.56 g/mol
Exact Mass301.26
IUPAC Name8-(oxolan-2-yl)octyl-dipropylsulfanium
SMILESCCC[S+](CCC)CCCCCCCCC1CCCO1
InChIInChI=1S/C18H37OS/c1-3-15-20(16-4-2)17-10-8-6-5-7-9-12-18-13-11-14-19-18/h18H,3-17H2,1-2H3/q+1
InChIKeyDDMOZQUSSNTWOZ-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(oxolan-2-yl)octyl-dipropylsulfanium 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 8-(oxolan-2-yl)octyl-dipropylsulfanium?
The IUPAC name of 8-(oxolan-2-yl)octyl-dipropylsulfanium (CID 23326640) is 8-(oxolan-2-yl)octyl-dipropylsulfanium.
What is the SMILES notation for 8-(oxolan-2-yl)octyl-dipropylsulfanium?
The canonical SMILES for 8-(oxolan-2-yl)octyl-dipropylsulfanium is CCC[S+](CCC)CCCCCCCCC1CCCO1.
What is the InChIKey of 8-(oxolan-2-yl)octyl-dipropylsulfanium?
The InChIKey is DDMOZQUSSNTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37OS/c1-3-15-20(16-4-2)17-10-8-6-5-7-9-12-18-13-11-14-19-18/h18H,3-17H2,1-2H3/q+1.
What are the key properties of 8-(oxolan-2-yl)octyl-dipropylsulfanium?
8-(oxolan-2-yl)octyl-dipropylsulfanium has a molecular weight of 301.56 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-yl)octyl-dipropylsulfanium is sourced from PubChem (CID 23326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).