(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol

C11H8OS — CID 130124083

IUPAC(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol
SMILESOC/C=C/C#CC#Cc1cccs1
InChIInChI=1S/C11H8OS/c12-9-5-3-1-2-4-7-11-8-6-10-13-11/h3,5-6,8,10,12H,9H2/b5-3+
InChIKeyAWPLIOOVYFEQDZ-HWKANZROSA-N
MW188.25 g/mol
LogP1.65
Rot. Bonds1

About (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol

(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol (PubChem CID 130124083) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol.

Molecular Properties

Compound Name(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol
PubChem CID130124083
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol
SMILESOC/C=C/C#CC#Cc1cccs1
InChIInChI=1S/C11H8OS/c12-9-5-3-1-2-4-7-11-8-6-10-13-11/h3,5-6,8,10,12H,9H2/b5-3+
InChIKeyAWPLIOOVYFEQDZ-HWKANZROSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-6,8-dithiophen-2-ylocta-2,5-dien-7-yn-1-ol
CID 164682428
9-thiophen-2-ylnon-6-en-8-yn-3-ol
CID 162889859
2-(6-thiophen-2-ylhex-3-en-1,5-diynyl)benzonitrile
CID 71374577
2-undeca-1,3-diynylthiophene
CID 71378359
2-methyl-4-thiophen-2-ylbut-3-yne-1,2-diol
CID 44519880
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
[(5R)-7-oxo-1-thiophen-2-ylnon-3-en-1-yn-5-yl] 3-methylbutanoate
CID 162885664
(E)-2-(2-phenylethynyl)-5-thiophen-2-ylpent-2-en-4-ynoic acid
CID 141475016
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841
2-[2-(benzenesulfonyl)ethynyl]thiophene
CID 162405289

Frequently Asked Questions

What is the IUPAC name of (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol?
The IUPAC name of (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol (CID 130124083) is (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol.
What is the SMILES notation for (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol?
The canonical SMILES for (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol is OC/C=C/C#CC#Cc1cccs1.
What is the InChIKey of (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol?
The InChIKey is AWPLIOOVYFEQDZ-HWKANZROSA-N. The full InChI is InChI=1S/C11H8OS/c12-9-5-3-1-2-4-7-11-8-6-10-13-11/h3,5-6,8,10,12H,9H2/b5-3+.
What are the key properties of (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol?
(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol has a molecular weight of 188.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol is sourced from PubChem (CID 130124083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).