10-pentylsulfanyldec-1-ene

C15H30S — CID 23466761

IUPAC10-pentylsulfanyldec-1-ene
SMILESC=CCCCCCCCCSCCCCC
InChIInChI=1S/C15H30S/c1-3-5-7-8-9-10-11-13-15-16-14-12-6-4-2/h3H,1,4-15H2,2H3
InChIKeyNLTUIGZNQWBCTE-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.83
Rot. Bonds13

About 10-pentylsulfanyldec-1-ene

10-pentylsulfanyldec-1-ene (PubChem CID 23466761) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is 10-pentylsulfanyldec-1-ene.

Molecular Properties

Compound Name10-pentylsulfanyldec-1-ene
PubChem CID23466761
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name10-pentylsulfanyldec-1-ene
SMILESC=CCCCCCCCCSCCCCC
InChIInChI=1S/C15H30S/c1-3-5-7-8-9-10-11-13-15-16-14-12-6-4-2/h3H,1,4-15H2,2H3
InChIKeyNLTUIGZNQWBCTE-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.83
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 10-pentylsulfanyldec-1-ene 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 10-pentylsulfanyldec-1-ene?
The IUPAC name of 10-pentylsulfanyldec-1-ene (CID 23466761) is 10-pentylsulfanyldec-1-ene.
What is the SMILES notation for 10-pentylsulfanyldec-1-ene?
The canonical SMILES for 10-pentylsulfanyldec-1-ene is C=CCCCCCCCCSCCCCC.
What is the InChIKey of 10-pentylsulfanyldec-1-ene?
The InChIKey is NLTUIGZNQWBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-3-5-7-8-9-10-11-13-15-16-14-12-6-4-2/h3H,1,4-15H2,2H3.
What are the key properties of 10-pentylsulfanyldec-1-ene?
10-pentylsulfanyldec-1-ene has a molecular weight of 242.47 g/mol, XLogP of 5.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pentylsulfanyldec-1-ene is sourced from PubChem (CID 23466761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).