1-ethenylsulfanyldodecane

C14H28S — CID 22034848

IUPAC1-ethenylsulfanyldodecane
SMILESC=CSCCCCCCCCCCCC
InChIInChI=1S/C14H28S/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3
InChIKeyDREJOINSNLVVCD-UHFFFAOYSA-N
MW228.44 g/mol
LogP5.78
Rot. Bonds12

About 1-ethenylsulfanyldodecane

1-ethenylsulfanyldodecane (PubChem CID 22034848) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is 1-ethenylsulfanyldodecane.

Molecular Properties

Compound Name1-ethenylsulfanyldodecane
PubChem CID22034848
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name1-ethenylsulfanyldodecane
SMILESC=CSCCCCCCCCCCCC
InChIInChI=1S/C14H28S/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3
InChIKeyDREJOINSNLVVCD-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyldodecane?
The IUPAC name of 1-ethenylsulfanyldodecane (CID 22034848) is 1-ethenylsulfanyldodecane.
What is the SMILES notation for 1-ethenylsulfanyldodecane?
The canonical SMILES for 1-ethenylsulfanyldodecane is C=CSCCCCCCCCCCCC.
What is the InChIKey of 1-ethenylsulfanyldodecane?
The InChIKey is DREJOINSNLVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28S/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3.
What are the key properties of 1-ethenylsulfanyldodecane?
1-ethenylsulfanyldodecane has a molecular weight of 228.44 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyldodecane is sourced from PubChem (CID 22034848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).