2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol

C11H18OS — CID 142075085

IUPAC2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol
SMILESC=C1SC(O)(CCCC)C(C)=C1C
InChIInChI=1S/C11H18OS/c1-5-6-7-11(12)9(3)8(2)10(4)13-11/h12H,4-7H2,1-3H3
InChIKeyXLYJBPVJFBYEMV-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.46
Rot. Bonds3

About 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol

2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol (PubChem CID 142075085) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol.

Molecular Properties

Compound Name2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol
PubChem CID142075085
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol
SMILESC=C1SC(O)(CCCC)C(C)=C1C
InChIInChI=1S/C11H18OS/c1-5-6-7-11(12)9(3)8(2)10(4)13-11/h12H,4-7H2,1-3H3
InChIKeyXLYJBPVJFBYEMV-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-decyl-2,3,4-trimethyl-5-methylidenethiophene
CID 142075084
1-butyl-2-methylidenecyclopentan-1-ol
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(5R)-5-decyl-4-hydroxy-3,5-dimethylthiophen-2-one
CID 136502772
3-butyl-N,N-dimethyloxetan-3-amine
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2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
1-butyl-N,N-dimethylcyclohexan-1-amine
CID 21197213
N-butyl-N-[2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]butan-1-amine
CID 23212130
3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene
CID 143622573
1-butyl-1-methyl-2-propan-2-ylidenecyclobutane
CID 123702503
3-butyldithiolan-3-amine
CID 123163629
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
(2S,3R,4S,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 152616665

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol?
The IUPAC name of 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol (CID 142075085) is 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol.
What is the SMILES notation for 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol?
The canonical SMILES for 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol is C=C1SC(O)(CCCC)C(C)=C1C.
What is the InChIKey of 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol?
The InChIKey is XLYJBPVJFBYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-5-6-7-11(12)9(3)8(2)10(4)13-11/h12H,4-7H2,1-3H3.
What are the key properties of 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol?
2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol has a molecular weight of 198.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4-dimethyl-5-methylidenethiophen-2-ol is sourced from PubChem (CID 142075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).