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

C6H10OS — CID 12589177

IUPAC(5-methyl-2,5-dihydrothiophen-2-yl)methanol
SMILESCC1C=CC(CO)S1
InChIInChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h2-3,5-7H,4H2,1H3
InChIKeyNRMWAHJFKZYJJF-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.04
Rot. Bonds1

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

(5-methyl-2,5-dihydrothiophen-2-yl)methanol (PubChem CID 12589177) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (5-methyl-2,5-dihydrothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2,5-dihydrothiophen-2-yl)methanol
PubChem CID12589177
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(5-methyl-2,5-dihydrothiophen-2-yl)methanol
SMILESCC1C=CC(CO)S1
InChIInChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h2-3,5-7H,4H2,1H3
InChIKeyNRMWAHJFKZYJJF-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,5-dihydrothiophen-2-yl)methanol?
The IUPAC name of (5-methyl-2,5-dihydrothiophen-2-yl)methanol (CID 12589177) is (5-methyl-2,5-dihydrothiophen-2-yl)methanol.
What is the SMILES notation for (5-methyl-2,5-dihydrothiophen-2-yl)methanol?
The canonical SMILES for (5-methyl-2,5-dihydrothiophen-2-yl)methanol is CC1C=CC(CO)S1.
What is the InChIKey of (5-methyl-2,5-dihydrothiophen-2-yl)methanol?
The InChIKey is NRMWAHJFKZYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-2-3-6(4-7)8-5/h2-3,5-7H,4H2,1H3.
What are the key properties of (5-methyl-2,5-dihydrothiophen-2-yl)methanol?
(5-methyl-2,5-dihydrothiophen-2-yl)methanol has a molecular weight of 130.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,5-dihydrothiophen-2-yl)methanol is sourced from PubChem (CID 12589177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).