3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol

C11H18OS — CID 83138477

IUPAC3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
SMILESCC(C)(C)C(CO)Cc1cccs1
InChIInChI=1S/C11H18OS/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9,12H,7-8H2,1-3H3
InChIKeyMFAYPKCYZYFBDS-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.95
Rot. Bonds3

About 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol

3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol (PubChem CID 83138477) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
PubChem CID83138477
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
SMILESCC(C)(C)C(CO)Cc1cccs1
InChIInChI=1S/C11H18OS/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9,12H,7-8H2,1-3H3
InChIKeyMFAYPKCYZYFBDS-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115883398
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429
4,4,4-trifluoro-3-(thiophen-2-ylmethyl)butanoic acid
CID 82534868
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol (CID 83138477) is 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol is CC(C)(C)C(CO)Cc1cccs1.
What is the InChIKey of 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol?
The InChIKey is MFAYPKCYZYFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-11(2,3)9(8-12)7-10-5-4-6-13-10/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol?
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol is sourced from PubChem (CID 83138477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).