3-methyl-5-thiophen-2-ylpent-1-en-3-ol

C10H14OS — CID 44614245

IUPAC3-methyl-5-thiophen-2-ylpent-1-en-3-ol
SMILESC=CC(C)(O)CCc1cccs1
InChIInChI=1S/C10H14OS/c1-3-10(2,11)7-6-9-5-4-8-12-9/h3-5,8,11H,1,6-7H2,2H3
InChIKeyNAHPYHZTEDTMLK-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.62
Rot. Bonds4

About 3-methyl-5-thiophen-2-ylpent-1-en-3-ol

3-methyl-5-thiophen-2-ylpent-1-en-3-ol (PubChem CID 44614245) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-ylpent-1-en-3-ol.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-ylpent-1-en-3-ol
PubChem CID44614245
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name3-methyl-5-thiophen-2-ylpent-1-en-3-ol
SMILESC=CC(C)(O)CCc1cccs1
InChIInChI=1S/C10H14OS/c1-3-10(2,11)7-6-9-5-4-8-12-9/h3-5,8,11H,1,6-7H2,2H3
InChIKeyNAHPYHZTEDTMLK-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophen-2-ylpent-4-en-2-ol
CID 11229020
rac-[(1R,2R)-2-(thiophen-2-yl)cyclopropyl]methanol
CID 67942345
2-(Thiophen-2-yl)propan-2-ol
CID 220065
4-(Thiophen-2-yl)butan-1-ol
CID 12623862
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
Methylthienylpropanol
CID 11030069
3-Methyl-5-(2-thienyl)pentanol
CID 23272364
3-Methyl-2-thiophen-2-ylbutan-2-ol
CID 11858909
2-Thiophenepentanol
CID 12197744
6-(2-Thienyl)hexanol
CID 12197745
4-(Thiophen-2-yl)butan-2-ol
CID 19777365
1-Phenyl-1-thiophen-2-ylpropan-1-ol
CID 49962344

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-ylpent-1-en-3-ol?
The IUPAC name of 3-methyl-5-thiophen-2-ylpent-1-en-3-ol (CID 44614245) is 3-methyl-5-thiophen-2-ylpent-1-en-3-ol.
What is the SMILES notation for 3-methyl-5-thiophen-2-ylpent-1-en-3-ol?
The canonical SMILES for 3-methyl-5-thiophen-2-ylpent-1-en-3-ol is C=CC(C)(O)CCc1cccs1.
What is the InChIKey of 3-methyl-5-thiophen-2-ylpent-1-en-3-ol?
The InChIKey is NAHPYHZTEDTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-10(2,11)7-6-9-5-4-8-12-9/h3-5,8,11H,1,6-7H2,2H3.
What are the key properties of 3-methyl-5-thiophen-2-ylpent-1-en-3-ol?
3-methyl-5-thiophen-2-ylpent-1-en-3-ol has a molecular weight of 182.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-ylpent-1-en-3-ol is sourced from PubChem (CID 44614245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).