3,5,5-trimethyl-1-methylsulfanylhexane

C10H22S — CID 23568656

IUPAC3,5,5-trimethyl-1-methylsulfanylhexane
SMILESCSCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22S/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyYBAIZLOMKBANBG-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.81
Rot. Bonds4

About 3,5,5-trimethyl-1-methylsulfanylhexane

3,5,5-trimethyl-1-methylsulfanylhexane (PubChem CID 23568656) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-methylsulfanylhexane.

Molecular Properties

Compound Name3,5,5-trimethyl-1-methylsulfanylhexane
PubChem CID23568656
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name3,5,5-trimethyl-1-methylsulfanylhexane
SMILESCSCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22S/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyYBAIZLOMKBANBG-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-methylsulfanylhexane?
The IUPAC name of 3,5,5-trimethyl-1-methylsulfanylhexane (CID 23568656) is 3,5,5-trimethyl-1-methylsulfanylhexane.
What is the SMILES notation for 3,5,5-trimethyl-1-methylsulfanylhexane?
The canonical SMILES for 3,5,5-trimethyl-1-methylsulfanylhexane is CSCCC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-methylsulfanylhexane?
The InChIKey is YBAIZLOMKBANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-methylsulfanylhexane?
3,5,5-trimethyl-1-methylsulfanylhexane has a molecular weight of 174.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-methylsulfanylhexane is sourced from PubChem (CID 23568656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).