(2-methyl-2,3-dihydrothiophen-5-yl)methanol

C6H10OS — CID 67962819

IUPAC(2-methyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1CC=C(CO)S1
InChIInChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h3,5,7H,2,4H2,1H3
InChIKeyCIMIQYGQDBFFOO-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.39
Rot. Bonds1

About (2-methyl-2,3-dihydrothiophen-5-yl)methanol

(2-methyl-2,3-dihydrothiophen-5-yl)methanol (PubChem CID 67962819) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2-methyl-2,3-dihydrothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2,3-dihydrothiophen-5-yl)methanol
PubChem CID67962819
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2-methyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1CC=C(CO)S1
InChIInChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h3,5,7H,2,4H2,1H3
InChIKeyCIMIQYGQDBFFOO-UHFFFAOYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydrothiophen-5-yl)methanol?
The IUPAC name of (2-methyl-2,3-dihydrothiophen-5-yl)methanol (CID 67962819) is (2-methyl-2,3-dihydrothiophen-5-yl)methanol.
What is the SMILES notation for (2-methyl-2,3-dihydrothiophen-5-yl)methanol?
The canonical SMILES for (2-methyl-2,3-dihydrothiophen-5-yl)methanol is CC1CC=C(CO)S1.
What is the InChIKey of (2-methyl-2,3-dihydrothiophen-5-yl)methanol?
The InChIKey is CIMIQYGQDBFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h3,5,7H,2,4H2,1H3.
What are the key properties of (2-methyl-2,3-dihydrothiophen-5-yl)methanol?
(2-methyl-2,3-dihydrothiophen-5-yl)methanol has a molecular weight of 130.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydrothiophen-5-yl)methanol is sourced from PubChem (CID 67962819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).