(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol

C11H14OS — CID 12024399

IUPAC(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol
SMILESC=CCC(C)(O)/C=C/c1cccs1
InChIInChI=1S/C11H14OS/c1-3-7-11(2,12)8-6-10-5-4-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-6+
InChIKeySAFXHKOHVJOVKF-SOFGYWHQSA-N
MW194.30 g/mol
LogP3.09
Rot. Bonds4

About (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol

(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol (PubChem CID 12024399) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol
PubChem CID12024399
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol
SMILESC=CCC(C)(O)/C=C/c1cccs1
InChIInChI=1S/C11H14OS/c1-3-7-11(2,12)8-6-10-5-4-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-6+
InChIKeySAFXHKOHVJOVKF-SOFGYWHQSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol with MolForge

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Related Compounds

methyl-[2-[(1E)-4-methyl-1-thiophen-2-ylhepta-1,6-dien-4-yl]phenyl]azanium
CID 143792813
(E)-2-thiophen-2-ylethenol
CID 89297537
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
2-(3-methylthiophen-2-yl)pent-4-en-2-ol
CID 79734594
2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
CID 14416570
(E)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 90522962
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
dichloro-methyl-(2-thiophen-2-ylethenyl)silane
CID 131873611
(E)-1-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 70848789
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261

Frequently Asked Questions

What is the IUPAC name of (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol?
The IUPAC name of (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol (CID 12024399) is (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol is C=CCC(C)(O)/C=C/c1cccs1.
What is the InChIKey of (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol?
The InChIKey is SAFXHKOHVJOVKF-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-7-11(2,12)8-6-10-5-4-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-6+.
What are the key properties of (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol?
(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol has a molecular weight of 194.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol is sourced from PubChem (CID 12024399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).