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

C12H20OS — CID 65146861

IUPAC3,4-dimethyl-1-thiophen-3-ylhexan-3-ol
SMILESCCC(C)C(C)(O)CCc1ccsc1
InChIInChI=1S/C12H20OS/c1-4-10(2)12(3,13)7-5-11-6-8-14-9-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyZINRMDQOKUHOPM-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.48
Rot. Bonds5

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

3,4-dimethyl-1-thiophen-3-ylhexan-3-ol (PubChem CID 65146861) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-thiophen-3-ylhexan-3-ol
PubChem CID65146861
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3,4-dimethyl-1-thiophen-3-ylhexan-3-ol
SMILESCCC(C)C(C)(O)CCc1ccsc1
InChIInChI=1S/C12H20OS/c1-4-10(2)12(3,13)7-5-11-6-8-14-9-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyZINRMDQOKUHOPM-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol?
The IUPAC name of 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol (CID 65146861) is 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol.
What is the SMILES notation for 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol?
The canonical SMILES for 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol is CCC(C)C(C)(O)CCc1ccsc1.
What is the InChIKey of 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol?
The InChIKey is ZINRMDQOKUHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-4-10(2)12(3,13)7-5-11-6-8-14-9-11/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-thiophen-3-ylhexan-3-ol?
3,4-dimethyl-1-thiophen-3-ylhexan-3-ol has a molecular weight of 212.36 g/mol, XLogP of 3.48, 5 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-ylhexan-3-ol is sourced from PubChem (CID 65146861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).