(5,5-dimethyl-2H-thiophen-4-yl)methanol

C7H12OS — CID 130127735

IUPAC(5,5-dimethyl-2H-thiophen-4-yl)methanol
SMILESCC1(C)SCC=C1CO
InChIInChI=1S/C7H12OS/c1-7(2)6(5-8)3-4-9-7/h3,8H,4-5H2,1-2H3
InChIKeyBWFAJKNIKOXECO-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.43
Rot. Bonds1

About (5,5-dimethyl-2H-thiophen-4-yl)methanol

(5,5-dimethyl-2H-thiophen-4-yl)methanol (PubChem CID 130127735) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (5,5-dimethyl-2H-thiophen-4-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethyl-2H-thiophen-4-yl)methanol
PubChem CID130127735
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(5,5-dimethyl-2H-thiophen-4-yl)methanol
SMILESCC1(C)SCC=C1CO
InChIInChI=1S/C7H12OS/c1-7(2)6(5-8)3-4-9-7/h3,8H,4-5H2,1-2H3
InChIKeyBWFAJKNIKOXECO-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.43
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 (5,5-dimethyl-2H-thiophen-4-yl)methanol?
The IUPAC name of (5,5-dimethyl-2H-thiophen-4-yl)methanol (CID 130127735) is (5,5-dimethyl-2H-thiophen-4-yl)methanol.
What is the SMILES notation for (5,5-dimethyl-2H-thiophen-4-yl)methanol?
The canonical SMILES for (5,5-dimethyl-2H-thiophen-4-yl)methanol is CC1(C)SCC=C1CO.
What is the InChIKey of (5,5-dimethyl-2H-thiophen-4-yl)methanol?
The InChIKey is BWFAJKNIKOXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(2)6(5-8)3-4-9-7/h3,8H,4-5H2,1-2H3.
What are the key properties of (5,5-dimethyl-2H-thiophen-4-yl)methanol?
(5,5-dimethyl-2H-thiophen-4-yl)methanol has a molecular weight of 144.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2H-thiophen-4-yl)methanol is sourced from PubChem (CID 130127735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).