(E)-1-methylsulfanyldec-1-ene

C11H22S — CID 12593944

IUPAC(E)-1-methylsulfanyldec-1-ene
SMILESCCCCCCCC/C=C/SC
InChIInChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyBFXHGMXXYCVPET-ZHACJKMWSA-N
MW186.36 g/mol
LogP4.61
Rot. Bonds8

About (E)-1-methylsulfanyldec-1-ene

(E)-1-methylsulfanyldec-1-ene (PubChem CID 12593944) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (E)-1-methylsulfanyldec-1-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanyldec-1-ene
PubChem CID12593944
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(E)-1-methylsulfanyldec-1-ene
SMILESCCCCCCCC/C=C/SC
InChIInChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyBFXHGMXXYCVPET-ZHACJKMWSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.61
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

Undec-10-ene-1-thiol
CID 15481056
Pentenyl sulfide
CID 57139871
(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
CID 166441191
[(Z)-dec-1-enyl]-pentafluoro-lambda6-sulfane
CID 176437559
[(E)-dec-1-enyl]sulfanyl-trimethylsilane
CID 15415440
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Octyl-2,3-dihydrothiophene
CID 15482765
Decene mercaptan
CID 20397988
Octene Thiole
CID 20398116
Dodecenyl methyl sulfoxide
CID 54427791
Octenothiol
CID 73677744

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanyldec-1-ene?
The IUPAC name of (E)-1-methylsulfanyldec-1-ene (CID 12593944) is (E)-1-methylsulfanyldec-1-ene.
What is the SMILES notation for (E)-1-methylsulfanyldec-1-ene?
The canonical SMILES for (E)-1-methylsulfanyldec-1-ene is CCCCCCCC/C=C/SC.
What is the InChIKey of (E)-1-methylsulfanyldec-1-ene?
The InChIKey is BFXHGMXXYCVPET-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+.
What are the key properties of (E)-1-methylsulfanyldec-1-ene?
(E)-1-methylsulfanyldec-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanyldec-1-ene is sourced from PubChem (CID 12593944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).