2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol

C13H20O2S — CID 65149154

IUPAC2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
SMILESCC1(C)CC(O)(CCc2ccsc2)CCO1
InChIInChI=1S/C13H20O2S/c1-12(2)10-13(14,6-7-15-12)5-3-11-4-8-16-9-11/h4,8-9,14H,3,5-7,10H2,1-2H3
InChIKeyKYXSUPYAUHSAQV-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.00
Rot. Bonds3

About 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol

2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol (PubChem CID 65149154) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
PubChem CID65149154
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
SMILESCC1(C)CC(O)(CCc2ccsc2)CCO1
InChIInChI=1S/C13H20O2S/c1-12(2)10-13(14,6-7-15-12)5-3-11-4-8-16-9-11/h4,8-9,14H,3,5-7,10H2,1-2H3
InChIKeyKYXSUPYAUHSAQV-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149211
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 65151466
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 65478285
2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7083788
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol
CID 106590447
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
2-methyl-2-(2-thiophen-3-ylethyl)azepane
CID 79117598
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol (CID 65149154) is 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol is CC1(C)CC(O)(CCc2ccsc2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol?
The InChIKey is KYXSUPYAUHSAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-12(2)10-13(14,6-7-15-12)5-3-11-4-8-16-9-11/h4,8-9,14H,3,5-7,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol?
2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol has a molecular weight of 240.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol is sourced from PubChem (CID 65149154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).