11-methylsulfanylundec-1-ene

C12H24S — CID 14907100

IUPAC11-methylsulfanylundec-1-ene
SMILESC=CCCCCCCCCCSC
InChIInChI=1S/C12H24S/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3H,1,4-12H2,2H3
InChIKeyXVFDQJLNWOMGMZ-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.66
Rot. Bonds10

About 11-methylsulfanylundec-1-ene

11-methylsulfanylundec-1-ene (PubChem CID 14907100) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 11-methylsulfanylundec-1-ene.

Molecular Properties

Compound Name11-methylsulfanylundec-1-ene
PubChem CID14907100
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name11-methylsulfanylundec-1-ene
SMILESC=CCCCCCCCCCSC
InChIInChI=1S/C12H24S/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3H,1,4-12H2,2H3
InChIKeyXVFDQJLNWOMGMZ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.66
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 11-methylsulfanylundec-1-ene?
The IUPAC name of 11-methylsulfanylundec-1-ene (CID 14907100) is 11-methylsulfanylundec-1-ene.
What is the SMILES notation for 11-methylsulfanylundec-1-ene?
The canonical SMILES for 11-methylsulfanylundec-1-ene is C=CCCCCCCCCCSC.
What is the InChIKey of 11-methylsulfanylundec-1-ene?
The InChIKey is XVFDQJLNWOMGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3H,1,4-12H2,2H3.
What are the key properties of 11-methylsulfanylundec-1-ene?
11-methylsulfanylundec-1-ene has a molecular weight of 200.39 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylsulfanylundec-1-ene is sourced from PubChem (CID 14907100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).