(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene

C12H22S — CID 143882645

IUPAC(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene
SMILESC=C(/C=C\SCC)CCCCCC
InChIInChI=1S/C12H22S/c1-4-6-7-8-9-12(3)10-11-13-5-2/h10-11H,3-9H2,1-2H3/b11-10-
InChIKeyBRDGTIZRADBGQQ-KHPPLWFESA-N
MW198.37 g/mol
LogP4.78
Rot. Bonds8

About (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene

(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene (PubChem CID 143882645) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene
PubChem CID143882645
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene
SMILESC=C(/C=C\SCC)CCCCCC
InChIInChI=1S/C12H22S/c1-4-6-7-8-9-12(3)10-11-13-5-2/h10-11H,3-9H2,1-2H3/b11-10-
InChIKeyBRDGTIZRADBGQQ-KHPPLWFESA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-tert-butylsulfanyl-3-methylbuta-1,3-diene
CID 13115309
(E)-1-tert-butylsulfanylhex-1-ene
CID 13468728
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Octyl-2,3-dihydrothiophene
CID 15482765
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
3-Dodecyl-1-ethenylidenethiophene
CID 123893367
(E)-1-propylsulfanyldec-1-ene
CID 12977961
(E)-1-butylsulfanyloct-1-ene
CID 13468729
1-Methylidene-2-methylsulfanylcyclotridecane
CID 14529197
4-Hexyl-2-thienyllithium
CID 85970345
1-Ethenylidene-3-hexylthiophene
CID 91359807
(Z)-1-methylsulfanyldodec-1-ene
CID 100956908

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene?
The IUPAC name of (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene (CID 143882645) is (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene.
What is the SMILES notation for (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene?
The canonical SMILES for (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene is C=C(/C=C\SCC)CCCCCC.
What is the InChIKey of (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene?
The InChIKey is BRDGTIZRADBGQQ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H22S/c1-4-6-7-8-9-12(3)10-11-13-5-2/h10-11H,3-9H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene?
(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene has a molecular weight of 198.37 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-3-methylidenenon-1-ene is sourced from PubChem (CID 143882645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).