4-methyl-3-methylsulfanyloct-2-ene

C10H20S — CID 123700850

IUPAC4-methyl-3-methylsulfanyloct-2-ene
SMILESCC=C(SC)C(C)CCCC
InChIInChI=1S/C10H20S/c1-5-7-8-9(3)10(6-2)11-4/h6,9H,5,7-8H2,1-4H3
InChIKeyJEZPUEQHHAIRDA-UHFFFAOYSA-N
MW172.34 g/mol
LogP4.08
Rot. Bonds5

About 4-methyl-3-methylsulfanyloct-2-ene

4-methyl-3-methylsulfanyloct-2-ene (PubChem CID 123700850) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanyloct-2-ene.

Molecular Properties

Compound Name4-methyl-3-methylsulfanyloct-2-ene
PubChem CID123700850
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-methyl-3-methylsulfanyloct-2-ene
SMILESCC=C(SC)C(C)CCCC
InChIInChI=1S/C10H20S/c1-5-7-8-9(3)10(6-2)11-4/h6,9H,5,7-8H2,1-4H3
InChIKeyJEZPUEQHHAIRDA-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172776718
CID 172776718
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanyloct-2-ene?
The IUPAC name of 4-methyl-3-methylsulfanyloct-2-ene (CID 123700850) is 4-methyl-3-methylsulfanyloct-2-ene.
What is the SMILES notation for 4-methyl-3-methylsulfanyloct-2-ene?
The canonical SMILES for 4-methyl-3-methylsulfanyloct-2-ene is CC=C(SC)C(C)CCCC.
What is the InChIKey of 4-methyl-3-methylsulfanyloct-2-ene?
The InChIKey is JEZPUEQHHAIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-5-7-8-9(3)10(6-2)11-4/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 4-methyl-3-methylsulfanyloct-2-ene?
4-methyl-3-methylsulfanyloct-2-ene has a molecular weight of 172.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanyloct-2-ene is sourced from PubChem (CID 123700850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).