(E)-4-methylsulfanyloct-4-ene

C9H18S — CID 134862317

IUPAC(E)-4-methylsulfanyloct-4-ene
SMILESCCC/C=C(\CCC)SC
InChIInChI=1S/C9H18S/c1-4-6-8-9(10-3)7-5-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyCZCHZFJURVRMCR-CMDGGOBGSA-N
MW158.31 g/mol
LogP3.83
Rot. Bonds5

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

(E)-4-methylsulfanyloct-4-ene (PubChem CID 134862317) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is (E)-4-methylsulfanyloct-4-ene.

Molecular Properties

Compound Name(E)-4-methylsulfanyloct-4-ene
PubChem CID134862317
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name(E)-4-methylsulfanyloct-4-ene
SMILESCCC/C=C(\CCC)SC
InChIInChI=1S/C9H18S/c1-4-6-8-9(10-3)7-5-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyCZCHZFJURVRMCR-CMDGGOBGSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentene, (methylthio)-
CID 5325880
Dhwyccuuwkegof-uhfffaoysa-
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(E)-1-methylsulfanylhept-2-ene
CID 13215828
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
(E)-1-methylsulfanyloct-3-ene
CID 14024902
3-Ethylthio-3-hexene
CID 15905675
1-Propenylpropylsulphide
CID 53869957
1-Butylsulfanylcyclopentene
CID 134985704
(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
CID 155935613
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene
CID 163948036

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylsulfanyloct-4-ene?
The IUPAC name of (E)-4-methylsulfanyloct-4-ene (CID 134862317) is (E)-4-methylsulfanyloct-4-ene.
What is the SMILES notation for (E)-4-methylsulfanyloct-4-ene?
The canonical SMILES for (E)-4-methylsulfanyloct-4-ene is CCC/C=C(\CCC)SC.
What is the InChIKey of (E)-4-methylsulfanyloct-4-ene?
The InChIKey is CZCHZFJURVRMCR-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18S/c1-4-6-8-9(10-3)7-5-2/h8H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-4-methylsulfanyloct-4-ene?
(E)-4-methylsulfanyloct-4-ene has a molecular weight of 158.31 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylsulfanyloct-4-ene is sourced from PubChem (CID 134862317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).