1-prop-2-enylsulfinyldodecane

C15H30OS — CID 10515398

IUPAC1-prop-2-enylsulfinyldodecane
SMILESC=CCS(=O)CCCCCCCCCCCC
InChIInChI=1S/C15H30OS/c1-3-5-6-7-8-9-10-11-12-13-15-17(16)14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyTZOSSFWHSYHRES-UHFFFAOYSA-N
MW258.47 g/mol
LogP4.84
Rot. Bonds13

About 1-prop-2-enylsulfinyldodecane

1-prop-2-enylsulfinyldodecane (PubChem CID 10515398) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is 1-prop-2-enylsulfinyldodecane.

Molecular Properties

Compound Name1-prop-2-enylsulfinyldodecane
PubChem CID10515398
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name1-prop-2-enylsulfinyldodecane
SMILESC=CCS(=O)CCCCCCCCCCCC
InChIInChI=1S/C15H30OS/c1-3-5-6-7-8-9-10-11-12-13-15-17(16)14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyTZOSSFWHSYHRES-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 54.84
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-enylsulfinyldodecane?
The IUPAC name of 1-prop-2-enylsulfinyldodecane (CID 10515398) is 1-prop-2-enylsulfinyldodecane.
What is the SMILES notation for 1-prop-2-enylsulfinyldodecane?
The canonical SMILES for 1-prop-2-enylsulfinyldodecane is C=CCS(=O)CCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enylsulfinyldodecane?
The InChIKey is TZOSSFWHSYHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OS/c1-3-5-6-7-8-9-10-11-12-13-15-17(16)14-4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of 1-prop-2-enylsulfinyldodecane?
1-prop-2-enylsulfinyldodecane has a molecular weight of 258.47 g/mol, XLogP of 4.84, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfinyldodecane is sourced from PubChem (CID 10515398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).