(5,5-dimethyl-2H-thiophen-3-yl)methanol

C7H12OS — CID 19003454

IUPAC(5,5-dimethyl-2H-thiophen-3-yl)methanol
SMILESCC1(C)C=C(CO)CS1
InChIInChI=1S/C7H12OS/c1-7(2)3-6(4-8)5-9-7/h3,8H,4-5H2,1-2H3
InChIKeyHNJXJCXHCBXRNK-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.43
Rot. Bonds1

About (5,5-dimethyl-2H-thiophen-3-yl)methanol

(5,5-dimethyl-2H-thiophen-3-yl)methanol (PubChem CID 19003454) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (5,5-dimethyl-2H-thiophen-3-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethyl-2H-thiophen-3-yl)methanol
PubChem CID19003454
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(5,5-dimethyl-2H-thiophen-3-yl)methanol
SMILESCC1(C)C=C(CO)CS1
InChIInChI=1S/C7H12OS/c1-7(2)3-6(4-8)5-9-7/h3,8H,4-5H2,1-2H3
InChIKeyHNJXJCXHCBXRNK-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'}

Analyze (5,5-dimethyl-2H-thiophen-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Buten-1-ol, 2-(methylthio)methyl-
CID 6435612
(2,2-Dimethyl-2,5-dihydrothiophen-3-yl)methanol
CID 130127735
2,3-Dihydrothiophen-5-ylmethanol
CID 10953472
2-Hydroxymethyl-4-methyl-2,5-dihydrothiophene
CID 12589176
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(2E)-2-(thiolan-3-ylidene)ethanol
CID 14140761
2,5-Dihydro-3-thiophenemethanol
CID 18679282
2-(2,5-Dihydrothiophen-3-yl)ethanol
CID 20623011
2-[4-(2-Hydroxyethylidene)thiolan-3-ylidene]ethanol
CID 57294019
(E)-2-methyl-5-methylsulfanylpent-2-en-1-ol
CID 57829359
(2-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 67962819
(3Z)-3-ethylidenethian-4-ol
CID 68033469

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2H-thiophen-3-yl)methanol?
The IUPAC name of (5,5-dimethyl-2H-thiophen-3-yl)methanol (CID 19003454) is (5,5-dimethyl-2H-thiophen-3-yl)methanol.
What is the SMILES notation for (5,5-dimethyl-2H-thiophen-3-yl)methanol?
The canonical SMILES for (5,5-dimethyl-2H-thiophen-3-yl)methanol is CC1(C)C=C(CO)CS1.
What is the InChIKey of (5,5-dimethyl-2H-thiophen-3-yl)methanol?
The InChIKey is HNJXJCXHCBXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(2)3-6(4-8)5-9-7/h3,8H,4-5H2,1-2H3.
What are the key properties of (5,5-dimethyl-2H-thiophen-3-yl)methanol?
(5,5-dimethyl-2H-thiophen-3-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-3-yl)methanol is sourced from PubChem (CID 19003454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).