1-prop-2-enylsulfanyldodecane

C15H30S — CID 10752713

IUPAC1-prop-2-enylsulfanyldodecane
SMILESC=CCSCCCCCCCCCCCC
InChIInChI=1S/C15H30S/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyYLIZPMPZVAMTNL-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.83
Rot. Bonds13

About 1-prop-2-enylsulfanyldodecane

1-prop-2-enylsulfanyldodecane (PubChem CID 10752713) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyldodecane.

Molecular Properties

Compound Name1-prop-2-enylsulfanyldodecane
PubChem CID10752713
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name1-prop-2-enylsulfanyldodecane
SMILESC=CCSCCCCCCCCCCCC
InChIInChI=1S/C15H30S/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyYLIZPMPZVAMTNL-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanyldodecane?
The IUPAC name of 1-prop-2-enylsulfanyldodecane (CID 10752713) is 1-prop-2-enylsulfanyldodecane.
What is the SMILES notation for 1-prop-2-enylsulfanyldodecane?
The canonical SMILES for 1-prop-2-enylsulfanyldodecane is C=CCSCCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enylsulfanyldodecane?
The InChIKey is YLIZPMPZVAMTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of 1-prop-2-enylsulfanyldodecane?
1-prop-2-enylsulfanyldodecane 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 1-prop-2-enylsulfanyldodecane is sourced from PubChem (CID 10752713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).