(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol

C12H18O2S — CID 81330791

IUPAC(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCC(C)O2)s1
InChIInChI=1S/C12H18O2S/c1-3-9-5-7-11(15-9)12(13)10-6-4-8(2)14-10/h5,7-8,10,12-13H,3-4,6H2,1-2H3
InChIKeyLWTHMTWYEHZXNO-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.91
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol

(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol (PubChem CID 81330791) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol
PubChem CID81330791
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCC(C)O2)s1
InChIInChI=1S/C12H18O2S/c1-3-9-5-7-11(15-9)12(13)10-6-4-8(2)14-10/h5,7-8,10,12-13H,3-4,6H2,1-2H3
InChIKeyLWTHMTWYEHZXNO-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol (CID 81330791) is (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol is CCc1ccc(C(O)C2CCC(C)O2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is LWTHMTWYEHZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-3-9-5-7-11(15-9)12(13)10-6-4-8(2)14-10/h5,7-8,10,12-13H,3-4,6H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol?
(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 81330791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).