ethene;(E)-2-ethenylbut-2-en-1-ol

C8H14O — CID 142149332

IUPACethene;(E)-2-ethenylbut-2-en-1-ol
SMILESC=C.C=C/C(=C\C)CO
InChIInChI=1S/C6H10O.C2H4/c1-3-6(4-2)5-7;1-2/h3-4,7H,1,5H2,2H3;1-2H2/b6-4+;
InChIKeyGLBLWYSFTODADG-CVDVRWGVSA-N
MW126.20 g/mol
LogP1.91
Rot. Bonds2

About ethene;(E)-2-ethenylbut-2-en-1-ol

ethene;(E)-2-ethenylbut-2-en-1-ol (PubChem CID 142149332) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is ethene;(E)-2-ethenylbut-2-en-1-ol.

Molecular Properties

Compound Nameethene;(E)-2-ethenylbut-2-en-1-ol
PubChem CID142149332
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameethene;(E)-2-ethenylbut-2-en-1-ol
SMILESC=C.C=C/C(=C\C)CO
InChIInChI=1S/C6H10O.C2H4/c1-3-6(4-2)5-7;1-2/h3-4,7H,1,5H2,2H3;1-2H2/b6-4+;
InChIKeyGLBLWYSFTODADG-CVDVRWGVSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
4-ethenylhexa-1,4-diene
CID 85441048
(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol
CID 142074679
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
CID 144532054
2-(hydroxymethyl)but-2-enal
CID 54024247
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
3-ethylideneoct-1-ene
CID 91511297
(3E)-3-(2-bromoethoxymethyl)penta-1,3-diene;ethene
CID 177023060

Frequently Asked Questions

What is the IUPAC name of ethene;(E)-2-ethenylbut-2-en-1-ol?
The IUPAC name of ethene;(E)-2-ethenylbut-2-en-1-ol (CID 142149332) is ethene;(E)-2-ethenylbut-2-en-1-ol.
What is the SMILES notation for ethene;(E)-2-ethenylbut-2-en-1-ol?
The canonical SMILES for ethene;(E)-2-ethenylbut-2-en-1-ol is C=C.C=C/C(=C\C)CO.
What is the InChIKey of ethene;(E)-2-ethenylbut-2-en-1-ol?
The InChIKey is GLBLWYSFTODADG-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H10O.C2H4/c1-3-6(4-2)5-7;1-2/h3-4,7H,1,5H2,2H3;1-2H2/b6-4+;.
What are the key properties of ethene;(E)-2-ethenylbut-2-en-1-ol?
ethene;(E)-2-ethenylbut-2-en-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E)-2-ethenylbut-2-en-1-ol is sourced from PubChem (CID 142149332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).