2,2-dimethyl-1-thiophen-2-ylbutan-1-ol

C10H16OS — CID 62677118

IUPAC2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
SMILESCCC(C)(C)C(O)c1cccs1
InChIInChI=1S/C10H16OS/c1-4-10(2,3)9(11)8-6-5-7-12-8/h5-7,9,11H,4H2,1-3H3
InChIKeyUGHDVFWJVNKNAN-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.22
Rot. Bonds3

About 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol

2,2-dimethyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 62677118) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
PubChem CID62677118
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
SMILESCCC(C)(C)C(O)c1cccs1
InChIInChI=1S/C10H16OS/c1-4-10(2,3)9(11)8-6-5-7-12-8/h5-7,9,11H,4H2,1-3H3
InChIKeyUGHDVFWJVNKNAN-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544
(3-hydroxy-2,2-dimethyl-3-thiophen-2-ylpropyl) methanesulfonate
CID 10858352
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
2-[(1R)-1-iodopropyl]thiophene
CID 142234064
2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 130727781
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol (CID 62677118) is 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol is CCC(C)(C)C(O)c1cccs1.
What is the InChIKey of 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is UGHDVFWJVNKNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-10(2,3)9(11)8-6-5-7-12-8/h5-7,9,11H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol?
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol has a molecular weight of 184.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 62677118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).