2,2-dimethyl-5-methylsulfanylhexane

C9H20S — CID 58033907

IUPAC2,2-dimethyl-5-methylsulfanylhexane
SMILESCSC(C)CCC(C)(C)C
InChIInChI=1S/C9H20S/c1-8(10-5)6-7-9(2,3)4/h8H,6-7H2,1-5H3
InChIKeyHUBRFTZPZCQAQV-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.56
Rot. Bonds3

About 2,2-dimethyl-5-methylsulfanylhexane

2,2-dimethyl-5-methylsulfanylhexane (PubChem CID 58033907) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylsulfanylhexane.

Molecular Properties

Compound Name2,2-dimethyl-5-methylsulfanylhexane
PubChem CID58033907
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name2,2-dimethyl-5-methylsulfanylhexane
SMILESCSC(C)CCC(C)(C)C
InChIInChI=1S/C9H20S/c1-8(10-5)6-7-9(2,3)4/h8H,6-7H2,1-5H3
InChIKeyHUBRFTZPZCQAQV-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylsulfanylbutane-1-thiol
CID 173367165
(3S)-3-methylsulfanylbutan-1-amine
CID 51892089
methane;2,2,6-trimethyl-5-propan-2-ylheptane
CID 160668864
2,5,5-trimethylhexan-1-ol
CID 3020914
2,6,6-trimethylheptan-3-ol
CID 20577986
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
5-(bromomethyl)-2,2,6-trimethylheptane
CID 66043444
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
CID 123583157

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylsulfanylhexane?
The IUPAC name of 2,2-dimethyl-5-methylsulfanylhexane (CID 58033907) is 2,2-dimethyl-5-methylsulfanylhexane.
What is the SMILES notation for 2,2-dimethyl-5-methylsulfanylhexane?
The canonical SMILES for 2,2-dimethyl-5-methylsulfanylhexane is CSC(C)CCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-methylsulfanylhexane?
The InChIKey is HUBRFTZPZCQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-8(10-5)6-7-9(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-methylsulfanylhexane?
2,2-dimethyl-5-methylsulfanylhexane has a molecular weight of 160.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylsulfanylhexane is sourced from PubChem (CID 58033907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).