(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene

C12H22S — CID 14875343

IUPAC(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene
SMILESC=CC/C(SC)=C(\CC)CCCC
InChIInChI=1S/C12H22S/c1-5-8-10-11(7-3)12(13-4)9-6-2/h6H,2,5,7-10H2,1,3-4H3/b12-11-
InChIKeyXKUVOBSUJASUJZ-QXMHVHEDSA-N
MW198.38 g/mol
LogP4.78
Rot. Bonds7

About (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene

(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene (PubChem CID 14875343) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene.

Molecular Properties

Compound Name(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene
PubChem CID14875343
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene
SMILESC=CC/C(SC)=C(\CC)CCCC
InChIInChI=1S/C12H22S/c1-5-8-10-11(7-3)12(13-4)9-6-2/h6H,2,5,7-10H2,1,3-4H3/b12-11-
InChIKeyXKUVOBSUJASUJZ-QXMHVHEDSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene?
The IUPAC name of (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene (CID 14875343) is (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene.
What is the SMILES notation for (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene?
The canonical SMILES for (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene is C=CC/C(SC)=C(\CC)CCCC.
What is the InChIKey of (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene?
The InChIKey is XKUVOBSUJASUJZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22S/c1-5-8-10-11(7-3)12(13-4)9-6-2/h6H,2,5,7-10H2,1,3-4H3/b12-11-.
What are the key properties of (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene?
(4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene has a molecular weight of 198.38 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-ethyl-4-methylsulfanylnona-1,4-diene is sourced from PubChem (CID 14875343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).