(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol

C8H18OS — CID 122598637

IUPAC(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
SMILESCSCCC(CO)C(C)C
InChIInChI=1S/C8H18OS/c1-7(2)8(6-9)4-5-10-3/h7-9H,4-6H2,1-3H3
InChIKeyPETWFCCPMVIXJV-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.00
Rot. Bonds5

About (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol

(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol (PubChem CID 122598637) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
PubChem CID122598637
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
SMILESCSCCC(CO)C(C)C
InChIInChI=1S/C8H18OS/c1-7(2)8(6-9)4-5-10-3/h7-9H,4-6H2,1-3H3
InChIKeyPETWFCCPMVIXJV-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208
(2R)-3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 89006071
3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 58361149
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
5-(hydroxymethyl)-6-methylheptan-2-one
CID 101348452
2-(dimethylamino)-4-methylsulfanylbutan-1-ol
CID 74829585
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
2-propan-2-ylpentane-1,4-diol
CID 22619698
methyl 3-hydroxy-5-methylsulfanyl-2-propan-2-ylpentanoate
CID 62394214

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol (CID 122598637) is (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol is CSCCC(CO)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol?
The InChIKey is PETWFCCPMVIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-7(2)8(6-9)4-5-10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol?
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol is sourced from PubChem (CID 122598637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).