3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol

C11H16OS — CID 44614246

IUPAC3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol
SMILESC=CC(C)(O)CCc1ccc(C)s1
InChIInChI=1S/C11H16OS/c1-4-11(3,12)8-7-10-6-5-9(2)13-10/h4-6,12H,1,7-8H2,2-3H3
InChIKeyNYAUECZFAFKIPR-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol

3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol (PubChem CID 44614246) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol
PubChem CID44614246
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol
SMILESC=CC(C)(O)CCc1ccc(C)s1
InChIInChI=1S/C11H16OS/c1-4-11(3,12)8-7-10-6-5-9(2)13-10/h4-6,12H,1,7-8H2,2-3H3
InChIKeyNYAUECZFAFKIPR-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.93
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 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol?
The IUPAC name of 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol (CID 44614246) is 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol.
What is the SMILES notation for 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol?
The canonical SMILES for 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol is C=CC(C)(O)CCc1ccc(C)s1.
What is the InChIKey of 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol?
The InChIKey is NYAUECZFAFKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-4-11(3,12)8-7-10-6-5-9(2)13-10/h4-6,12H,1,7-8H2,2-3H3.
What are the key properties of 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol?
3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol has a molecular weight of 196.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol is sourced from PubChem (CID 44614246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).