(E)-1-thiophen-2-ylhex-2-en-1-ol

C10H14OS — CID 156700431

IUPAC(E)-1-thiophen-2-ylhex-2-en-1-ol
SMILESCCC/C=C/C(O)c1cccs1
InChIInChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h4-9,11H,2-3H2,1H3/b6-4+
InChIKeyYKRGLNGLMXOKBP-GQCTYLIASA-N
MW182.29 g/mol
LogP3.14
Rot. Bonds4

About (E)-1-thiophen-2-ylhex-2-en-1-ol

(E)-1-thiophen-2-ylhex-2-en-1-ol (PubChem CID 156700431) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (E)-1-thiophen-2-ylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-thiophen-2-ylhex-2-en-1-ol
PubChem CID156700431
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(E)-1-thiophen-2-ylhex-2-en-1-ol
SMILESCCC/C=C/C(O)c1cccs1
InChIInChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h4-9,11H,2-3H2,1H3/b6-4+
InChIKeyYKRGLNGLMXOKBP-GQCTYLIASA-N
XLogP3.14
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 ≤ 53.14
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

3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-propan-2-ylthiophene
CID 178128598
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575

Frequently Asked Questions

What is the IUPAC name of (E)-1-thiophen-2-ylhex-2-en-1-ol?
The IUPAC name of (E)-1-thiophen-2-ylhex-2-en-1-ol (CID 156700431) is (E)-1-thiophen-2-ylhex-2-en-1-ol.
What is the SMILES notation for (E)-1-thiophen-2-ylhex-2-en-1-ol?
The canonical SMILES for (E)-1-thiophen-2-ylhex-2-en-1-ol is CCC/C=C/C(O)c1cccs1.
What is the InChIKey of (E)-1-thiophen-2-ylhex-2-en-1-ol?
The InChIKey is YKRGLNGLMXOKBP-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h4-9,11H,2-3H2,1H3/b6-4+.
What are the key properties of (E)-1-thiophen-2-ylhex-2-en-1-ol?
(E)-1-thiophen-2-ylhex-2-en-1-ol has a molecular weight of 182.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-thiophen-2-ylhex-2-en-1-ol is sourced from PubChem (CID 156700431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).