2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol

C11H18O2S — CID 116751816

IUPAC2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCCC(C)(OC)C(O)c1sccc1C
InChIInChI=1S/C11H18O2S/c1-5-11(3,13-4)10(12)9-8(2)6-7-14-9/h6-7,10,12H,5H2,1-4H3
InChIKeyCCQABTXWUNNDMU-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.91
Rot. Bonds4

About 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol

2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol (PubChem CID 116751816) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
PubChem CID116751816
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCCC(C)(OC)C(O)c1sccc1C
InChIInChI=1S/C11H18O2S/c1-5-11(3,13-4)10(12)9-8(2)6-7-14-9/h6-7,10,12H,5H2,1-4H3
InChIKeyCCQABTXWUNNDMU-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
CID 116758863
2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79988633
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
2-(diethoxymethyl)-3-methylthiophene
CID 146004797
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-hydrazinyl-N,N,2-trimethyl-1-(3-methylthiophen-2-yl)butan-2-amine
CID 105240611
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol (CID 116751816) is 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol is CCC(C)(OC)C(O)c1sccc1C.
What is the InChIKey of 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
The InChIKey is CCQABTXWUNNDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-5-11(3,13-4)10(12)9-8(2)6-7-14-9/h6-7,10,12H,5H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol?
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 116751816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).