3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol

C9H18OS — CID 20583884

IUPAC3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
SMILESC=C(C)CSC(CO)C(C)C
InChIInChI=1S/C9H18OS/c1-7(2)6-11-9(5-10)8(3)4/h8-10H,1,5-6H2,2-4H3
InChIKeyZGWRSZCSSYOZBP-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.31
Rot. Bonds5

About 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol

3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol (PubChem CID 20583884) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
PubChem CID20583884
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
SMILESC=C(C)CSC(CO)C(C)C
InChIInChI=1S/C9H18OS/c1-7(2)6-11-9(5-10)8(3)4/h8-10H,1,5-6H2,2-4H3
InChIKeyZGWRSZCSSYOZBP-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
2-[2-(Propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 89211763
2-(3-Methylbutan-2-ylsulfanyl)prop-2-en-1-ol
CID 91347942
3-Methyl-2-propan-2-ylsulfanylbutan-1-ol
CID 117035458
(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol
CID 131231524
(2S)-2-tert-butylsulfanyl-3-methylbutan-1-ol
CID 145822253
Methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol
CID 159803437
4-(2-Methylprop-2-enylsulfanyl)butan-1-ol
CID 10012184
1-Butanol, 4-[(1,1-dimethylethyl)thio]-3-methyl-
CID 12301000
1-Butanol, 4-[(1,1-dimethylethyl)thio]-2-methyl-
CID 12301003
2-(3-Methylbutylsulfanyl)prop-2-en-1-ol
CID 13331387

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol (CID 20583884) is 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol is C=C(C)CSC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol?
The InChIKey is ZGWRSZCSSYOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-7(2)6-11-9(5-10)8(3)4/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol?
3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol has a molecular weight of 174.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol is sourced from PubChem (CID 20583884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).