1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol

C12H20OS — CID 114875969

IUPAC1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1sc(C)cc1C
InChIInChI=1S/C12H20OS/c1-5-8(2)6-11(13)12-9(3)7-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyBTIXNGIXNCNMDE-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.83
Rot. Bonds4

About 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol

1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol (PubChem CID 114875969) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
PubChem CID114875969
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1sc(C)cc1C
InChIInChI=1S/C12H20OS/c1-5-8(2)6-11(13)12-9(3)7-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyBTIXNGIXNCNMDE-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylthiophen-2-yl)propan-1-ol
CID 81157083
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
6-(3,5-dimethylthiophen-2-yl)-6-hydroxyhexanoic acid
CID 81157398
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
CID 114875950
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
(3,5-dimethylthiophen-2-yl)-(1-ethylcyclopentyl)methanol
CID 81158901
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
CID 115789411
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol (CID 114875969) is 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol is CCC(C)CC(O)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol?
The InChIKey is BTIXNGIXNCNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-5-8(2)6-11(13)12-9(3)7-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol?
1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 114875969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).