3,4-dimethyl-1-thiophen-3-ylpentan-3-ol

C11H18OS — CID 65146406

IUPAC3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
SMILESCC(C)C(C)(O)CCc1ccsc1
InChIInChI=1S/C11H18OS/c1-9(2)11(3,12)6-4-10-5-7-13-8-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyYNIVFFPUWDECJZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.09
Rot. Bonds4

About 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol

3,4-dimethyl-1-thiophen-3-ylpentan-3-ol (PubChem CID 65146406) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
PubChem CID65146406
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
SMILESCC(C)C(C)(O)CCc1ccsc1
InChIInChI=1S/C11H18OS/c1-9(2)11(3,12)6-4-10-5-7-13-8-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyYNIVFFPUWDECJZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate
CID 10891867
2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
CID 114795051
4-(2-hydroxy-4-thiophen-3-ylbutan-2-yl)benzonitrile
CID 113318966
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
3-[3,3-bis(chloromethyl)-5-methylhexyl]thiophene
CID 79447206
3-(6,6-dimethylheptyl)thiophene
CID 174801737
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
3-ethyl-1-thiophen-3-ylheptan-3-amine
CID 65020365
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
CID 65146654

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol?
The IUPAC name of 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol (CID 65146406) is 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol.
What is the SMILES notation for 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol?
The canonical SMILES for 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol is CC(C)C(C)(O)CCc1ccsc1.
What is the InChIKey of 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol?
The InChIKey is YNIVFFPUWDECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(2)11(3,12)6-4-10-5-7-13-8-10/h5,7-9,12H,4,6H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol?
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol has a molecular weight of 198.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-thiophen-3-ylpentan-3-ol is sourced from PubChem (CID 65146406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).