5-(ethenylsulfanylmethylidene)nonane

C12H22S — CID 139298116

IUPAC5-(ethenylsulfanylmethylidene)nonane
SMILESC=CSC=C(CCCC)CCCC
InChIInChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)11-13-6-3/h6,11H,3-5,7-10H2,1-2H3
InChIKeyLJQLCVWXEPDVGB-UHFFFAOYSA-N
MW198.38 g/mol
LogP5.13
Rot. Bonds8

About 5-(ethenylsulfanylmethylidene)nonane

5-(ethenylsulfanylmethylidene)nonane (PubChem CID 139298116) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 5-(ethenylsulfanylmethylidene)nonane.

Molecular Properties

Compound Name5-(ethenylsulfanylmethylidene)nonane
PubChem CID139298116
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name5-(ethenylsulfanylmethylidene)nonane
SMILESC=CSC=C(CCCC)CCCC
InChIInChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)11-13-6-3/h6,11H,3-5,7-10H2,1-2H3
InChIKeyLJQLCVWXEPDVGB-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6E)-6-ethylidenedec-1-ene
CID 173031906
(Z)-1-ethenylsulfanylbut-1-en-2-amine
CID 130329572
5-butyldec-5-ene
CID 15367252
ethenol;hexane
CID 22706833
(3E)-3-ethylideneheptan-1-ol
CID 134993443
7-ethyl-5-propan-2-ylundeca-1,6-diene
CID 173295898
3,4-dimethylocta-1,3-diene
CID 54003351
ethenol;heptadecane
CID 158851930
6-ethylidenehexadecane
CID 169207706
(Z)-4-ethyl-2-methylideneoct-3-en-1-ol
CID 10975891
7-butylundec-6-en-5-ylphosphane;hydrochloride
CID 173009520
3-butyl-2-iodohept-2-enal
CID 134996116

Frequently Asked Questions

What is the IUPAC name of 5-(ethenylsulfanylmethylidene)nonane?
The IUPAC name of 5-(ethenylsulfanylmethylidene)nonane (CID 139298116) is 5-(ethenylsulfanylmethylidene)nonane.
What is the SMILES notation for 5-(ethenylsulfanylmethylidene)nonane?
The canonical SMILES for 5-(ethenylsulfanylmethylidene)nonane is C=CSC=C(CCCC)CCCC.
What is the InChIKey of 5-(ethenylsulfanylmethylidene)nonane?
The InChIKey is LJQLCVWXEPDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)11-13-6-3/h6,11H,3-5,7-10H2,1-2H3.
What are the key properties of 5-(ethenylsulfanylmethylidene)nonane?
5-(ethenylsulfanylmethylidene)nonane has a molecular weight of 198.38 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenylsulfanylmethylidene)nonane is sourced from PubChem (CID 139298116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).