3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol

C11H18OS — CID 65148368

IUPAC3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1sccc1C
InChIInChI=1S/C11H18OS/c1-4-8(2)7-10(12)11-9(3)5-6-13-11/h5-6,8,10,12H,4,7H2,1-3H3
InChIKeyJHAXWOMXIDKTOI-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.53
Rot. Bonds4

About 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol

3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol (PubChem CID 65148368) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
PubChem CID65148368
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1sccc1C
InChIInChI=1S/C11H18OS/c1-4-8(2)7-10(12)11-9(3)5-6-13-11/h5-6,8,10,12H,4,7H2,1-3H3
InChIKeyJHAXWOMXIDKTOI-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
CID 114875969
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
3-methyl-2-pentan-2-ylthiophene
CID 59774172
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
CID 104809425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol (CID 65148368) is 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol is CCC(C)CC(O)c1sccc1C.
What is the InChIKey of 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The InChIKey is JHAXWOMXIDKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-4-8(2)7-10(12)11-9(3)5-6-13-11/h5-6,8,10,12H,4,7H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 65148368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).