6-methyl-2-methylsulfanyloct-1-ene

C10H20S — CID 90939983

IUPAC6-methyl-2-methylsulfanyloct-1-ene
SMILESC=C(CCCC(C)CC)SC
InChIInChI=1S/C10H20S/c1-5-9(2)7-6-8-10(3)11-4/h9H,3,5-8H2,1-2,4H3
InChIKeyCLMFDPUKEYRXGV-UHFFFAOYSA-N
MW172.34 g/mol
LogP4.08
Rot. Bonds6

About 6-methyl-2-methylsulfanyloct-1-ene

6-methyl-2-methylsulfanyloct-1-ene (PubChem CID 90939983) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyloct-1-ene.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyloct-1-ene
PubChem CID90939983
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name6-methyl-2-methylsulfanyloct-1-ene
SMILESC=C(CCCC(C)CC)SC
InChIInChI=1S/C10H20S/c1-5-9(2)7-6-8-10(3)11-4/h9H,3,5-8H2,1-2,4H3
InChIKeyCLMFDPUKEYRXGV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyloct-1-ene?
The IUPAC name of 6-methyl-2-methylsulfanyloct-1-ene (CID 90939983) is 6-methyl-2-methylsulfanyloct-1-ene.
What is the SMILES notation for 6-methyl-2-methylsulfanyloct-1-ene?
The canonical SMILES for 6-methyl-2-methylsulfanyloct-1-ene is C=C(CCCC(C)CC)SC.
What is the InChIKey of 6-methyl-2-methylsulfanyloct-1-ene?
The InChIKey is CLMFDPUKEYRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-5-9(2)7-6-8-10(3)11-4/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 6-methyl-2-methylsulfanyloct-1-ene?
6-methyl-2-methylsulfanyloct-1-ene has a molecular weight of 172.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyloct-1-ene is sourced from PubChem (CID 90939983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).