1-prop-2-enylsulfanylhexadecane

C19H38S — CID 10637845

IUPAC1-prop-2-enylsulfanylhexadecane
SMILESC=CCSCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4H,2-3,5-19H2,1H3
InChIKeyNWOBIANCJAPRKR-UHFFFAOYSA-N
MW298.58 g/mol
LogP7.39
Rot. Bonds17

About 1-prop-2-enylsulfanylhexadecane

1-prop-2-enylsulfanylhexadecane (PubChem CID 10637845) has the molecular formula C19H38S and a molecular weight of 298.58 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylhexadecane.

Molecular Properties

Compound Name1-prop-2-enylsulfanylhexadecane
PubChem CID10637845
Molecular FormulaC19H38S
Molecular Weight298.58 g/mol
Exact Mass298.27
IUPAC Name1-prop-2-enylsulfanylhexadecane
SMILESC=CCSCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4H,2-3,5-19H2,1H3
InChIKeyNWOBIANCJAPRKR-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 57.39
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-enylsulfanylhexadecane 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-enylsulfanylhexadecane?
The IUPAC name of 1-prop-2-enylsulfanylhexadecane (CID 10637845) is 1-prop-2-enylsulfanylhexadecane.
What is the SMILES notation for 1-prop-2-enylsulfanylhexadecane?
The canonical SMILES for 1-prop-2-enylsulfanylhexadecane is C=CCSCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enylsulfanylhexadecane?
The InChIKey is NWOBIANCJAPRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4H,2-3,5-19H2,1H3.
What are the key properties of 1-prop-2-enylsulfanylhexadecane?
1-prop-2-enylsulfanylhexadecane has a molecular weight of 298.58 g/mol, XLogP of 7.39, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylhexadecane is sourced from PubChem (CID 10637845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).