1-prop-2-enylsulfanyldecane

C13H26S — CID 10775022

IUPAC1-prop-2-enylsulfanyldecane
SMILESC=CCSCCCCCCCCCC
InChIInChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4H,2-3,5-13H2,1H3
InChIKeyQIEFEBYHWGTBMH-UHFFFAOYSA-N
MW214.42 g/mol
LogP5.05
Rot. Bonds11

About 1-prop-2-enylsulfanyldecane

1-prop-2-enylsulfanyldecane (PubChem CID 10775022) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyldecane.

Molecular Properties

Compound Name1-prop-2-enylsulfanyldecane
PubChem CID10775022
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-prop-2-enylsulfanyldecane
SMILESC=CCSCCCCCCCCCC
InChIInChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4H,2-3,5-13H2,1H3
InChIKeyQIEFEBYHWGTBMH-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-enylsulfanyldecane 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 1-prop-2-enylsulfanyldecane?
The IUPAC name of 1-prop-2-enylsulfanyldecane (CID 10775022) is 1-prop-2-enylsulfanyldecane.
What is the SMILES notation for 1-prop-2-enylsulfanyldecane?
The canonical SMILES for 1-prop-2-enylsulfanyldecane is C=CCSCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enylsulfanyldecane?
The InChIKey is QIEFEBYHWGTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of 1-prop-2-enylsulfanyldecane?
1-prop-2-enylsulfanyldecane has a molecular weight of 214.42 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyldecane is sourced from PubChem (CID 10775022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).