3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol

C9H20OS — CID 58361149

IUPAC3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
SMILESCSCCC(CO)C(C)(C)C
InChIInChI=1S/C9H20OS/c1-9(2,3)8(7-10)5-6-11-4/h8,10H,5-7H2,1-4H3
InChIKeyJEVNMYIWIGPPIZ-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.39
Rot. Bonds4

About 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol

3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol (PubChem CID 58361149) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
PubChem CID58361149
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
SMILESCSCCC(CO)C(C)(C)C
InChIInChI=1S/C9H20OS/c1-9(2,3)8(7-10)5-6-11-4/h8,10H,5-7H2,1-4H3
InChIKeyJEVNMYIWIGPPIZ-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 89006071
(3S)-2,2-dimethyl-3-(2-methylsulfanylethyl)heptane
CID 134572286
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 122598637
3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-ol
CID 83139457
5-amino-2-tert-butylpentan-1-ol
CID 59516739
4,4-dimethyl-1-methylsulfanylpentan-3-amine
CID 58482801
3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol
CID 106734425
2-(dimethylamino)-4-methylsulfanylbutan-1-ol
CID 74829585
2-(2,2-difluoroethyl)-3,3-dimethylbutan-1-ol
CID 170403892
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
2-tert-butyl-4-ethylhexan-1-ol
CID 83138280
4-methylsulfanylbutane-2-sulfonic acid
CID 118258379

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol (CID 58361149) is 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol is CSCCC(CO)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol?
The InChIKey is JEVNMYIWIGPPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-9(2,3)8(7-10)5-6-11-4/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol?
3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol has a molecular weight of 176.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol is sourced from PubChem (CID 58361149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).