5-methyl-1-thiophen-3-ylhexane-3,4-diol

C11H18O2S — CID 103456568

IUPAC5-methyl-1-thiophen-3-ylhexane-3,4-diol
SMILESCC(C)C(O)C(O)CCc1ccsc1
InChIInChI=1S/C11H18O2S/c1-8(2)11(13)10(12)4-3-9-5-6-14-7-9/h5-8,10-13H,3-4H2,1-2H3
InChIKeyVPRLGUYFPJOIKH-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.06
Rot. Bonds5

About 5-methyl-1-thiophen-3-ylhexane-3,4-diol

5-methyl-1-thiophen-3-ylhexane-3,4-diol (PubChem CID 103456568) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-methyl-1-thiophen-3-ylhexane-3,4-diol.

Molecular Properties

Compound Name5-methyl-1-thiophen-3-ylhexane-3,4-diol
PubChem CID103456568
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name5-methyl-1-thiophen-3-ylhexane-3,4-diol
SMILESCC(C)C(O)C(O)CCc1ccsc1
InChIInChI=1S/C11H18O2S/c1-8(2)11(13)10(12)4-3-9-5-6-14-7-9/h5-8,10-13H,3-4H2,1-2H3
InChIKeyVPRLGUYFPJOIKH-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-(5-bromohexyl)thiophene
CID 64506689
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
3-(propan-2-yloxymethyl)thiophene
CID 146745191
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
2-methyl-7-phenylheptane-3,4-diol
CID 103456597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-3-ylhexane-3,4-diol?
The IUPAC name of 5-methyl-1-thiophen-3-ylhexane-3,4-diol (CID 103456568) is 5-methyl-1-thiophen-3-ylhexane-3,4-diol.
What is the SMILES notation for 5-methyl-1-thiophen-3-ylhexane-3,4-diol?
The canonical SMILES for 5-methyl-1-thiophen-3-ylhexane-3,4-diol is CC(C)C(O)C(O)CCc1ccsc1.
What is the InChIKey of 5-methyl-1-thiophen-3-ylhexane-3,4-diol?
The InChIKey is VPRLGUYFPJOIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8(2)11(13)10(12)4-3-9-5-6-14-7-9/h5-8,10-13H,3-4H2,1-2H3.
What are the key properties of 5-methyl-1-thiophen-3-ylhexane-3,4-diol?
5-methyl-1-thiophen-3-ylhexane-3,4-diol has a molecular weight of 214.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-3-ylhexane-3,4-diol is sourced from PubChem (CID 103456568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).