(E)-4-ethyl-5-methylsulfanyloct-4-ene

C11H22S — CID 134851418

IUPAC(E)-4-ethyl-5-methylsulfanyloct-4-ene
SMILESCCC/C(CC)=C(\CCC)SC
InChIInChI=1S/C11H22S/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H2,1-4H3/b11-10+
InChIKeyISVPSCBQSRTLTR-ZHACJKMWSA-N
MW186.36 g/mol
LogP4.61
Rot. Bonds6

About (E)-4-ethyl-5-methylsulfanyloct-4-ene

(E)-4-ethyl-5-methylsulfanyloct-4-ene (PubChem CID 134851418) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (E)-4-ethyl-5-methylsulfanyloct-4-ene.

Molecular Properties

Compound Name(E)-4-ethyl-5-methylsulfanyloct-4-ene
PubChem CID134851418
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(E)-4-ethyl-5-methylsulfanyloct-4-ene
SMILESCCC/C(CC)=C(\CCC)SC
InChIInChI=1S/C11H22S/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H2,1-4H3/b11-10+
InChIKeyISVPSCBQSRTLTR-ZHACJKMWSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

1-Methylsulfanylpropylidenecyclohexane
CID 12397148
1,2,3,4-Tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
CID 14064506
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
InChI=1/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H
CID 5325879
(E)-4-methyl-1-methylsulfanyloct-3-ene
CID 10986749
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(E)-3-methyl-2-methylsulfanylundec-2-ene
CID 134851256
(E)-5-ethyl-6-methylsulfanyldec-5-ene
CID 134862221
1-Butylsulfanylethylidenecyclohexane
CID 134932390
(2Z)-2-heptan-3-ylidenethiolane
CID 134996419

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-5-methylsulfanyloct-4-ene?
The IUPAC name of (E)-4-ethyl-5-methylsulfanyloct-4-ene (CID 134851418) is (E)-4-ethyl-5-methylsulfanyloct-4-ene.
What is the SMILES notation for (E)-4-ethyl-5-methylsulfanyloct-4-ene?
The canonical SMILES for (E)-4-ethyl-5-methylsulfanyloct-4-ene is CCC/C(CC)=C(\CCC)SC.
What is the InChIKey of (E)-4-ethyl-5-methylsulfanyloct-4-ene?
The InChIKey is ISVPSCBQSRTLTR-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22S/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H2,1-4H3/b11-10+.
What are the key properties of (E)-4-ethyl-5-methylsulfanyloct-4-ene?
(E)-4-ethyl-5-methylsulfanyloct-4-ene has a molecular weight of 186.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-5-methylsulfanyloct-4-ene is sourced from PubChem (CID 134851418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).