(Z)-1-methylsulfanyldodec-1-ene

C13H26S — CID 100956908

IUPAC(Z)-1-methylsulfanyldodec-1-ene
SMILESCCCCCCCCCC/C=C\SC
InChIInChI=1S/C13H26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-13H,3-11H2,1-2H3/b13-12-
InChIKeyWXMXJYNCPMXGLD-SEYXRHQNSA-N
MW214.42 g/mol
LogP5.39
Rot. Bonds10

About (Z)-1-methylsulfanyldodec-1-ene

(Z)-1-methylsulfanyldodec-1-ene (PubChem CID 100956908) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (Z)-1-methylsulfanyldodec-1-ene.

Molecular Properties

Compound Name(Z)-1-methylsulfanyldodec-1-ene
PubChem CID100956908
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(Z)-1-methylsulfanyldodec-1-ene
SMILESCCCCCCCCCC/C=C\SC
InChIInChI=1S/C13H26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-13H,3-11H2,1-2H3/b13-12-
InChIKeyWXMXJYNCPMXGLD-SEYXRHQNSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.39
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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Related Compounds

1-methylsulfanyldodec-1-ene
CID 54454895
1-dec-1-enylsulfanyldec-1-ene
CID 174687639
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methylsulfanyldodec-1-ene?
The IUPAC name of (Z)-1-methylsulfanyldodec-1-ene (CID 100956908) is (Z)-1-methylsulfanyldodec-1-ene.
What is the SMILES notation for (Z)-1-methylsulfanyldodec-1-ene?
The canonical SMILES for (Z)-1-methylsulfanyldodec-1-ene is CCCCCCCCCC/C=C\SC.
What is the InChIKey of (Z)-1-methylsulfanyldodec-1-ene?
The InChIKey is WXMXJYNCPMXGLD-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h12-13H,3-11H2,1-2H3/b13-12-.
What are the key properties of (Z)-1-methylsulfanyldodec-1-ene?
(Z)-1-methylsulfanyldodec-1-ene has a molecular weight of 214.42 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methylsulfanyldodec-1-ene is sourced from PubChem (CID 100956908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).