2-ethenyl-2-methoxybut-3-en-1-ol

C7H12O2 — CID 174357069

IUPAC2-ethenyl-2-methoxybut-3-en-1-ol
SMILESC=CC(C=C)(CO)OC
InChIInChI=1S/C7H12O2/c1-4-7(5-2,6-8)9-3/h4-5,8H,1-2,6H2,3H3
InChIKeyWMWUGQJJNGQUNE-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds4

About 2-ethenyl-2-methoxybut-3-en-1-ol

2-ethenyl-2-methoxybut-3-en-1-ol (PubChem CID 174357069) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethenyl-2-methoxybut-3-en-1-ol.

Molecular Properties

Compound Name2-ethenyl-2-methoxybut-3-en-1-ol
PubChem CID174357069
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethenyl-2-methoxybut-3-en-1-ol
SMILESC=CC(C=C)(CO)OC
InChIInChI=1S/C7H12O2/c1-4-7(5-2,6-8)9-3/h4-5,8H,1-2,6H2,3H3
InChIKeyWMWUGQJJNGQUNE-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
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 2-ethenyl-2-methoxybut-3-en-1-ol?
The IUPAC name of 2-ethenyl-2-methoxybut-3-en-1-ol (CID 174357069) is 2-ethenyl-2-methoxybut-3-en-1-ol.
What is the SMILES notation for 2-ethenyl-2-methoxybut-3-en-1-ol?
The canonical SMILES for 2-ethenyl-2-methoxybut-3-en-1-ol is C=CC(C=C)(CO)OC.
What is the InChIKey of 2-ethenyl-2-methoxybut-3-en-1-ol?
The InChIKey is WMWUGQJJNGQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-7(5-2,6-8)9-3/h4-5,8H,1-2,6H2,3H3.
What are the key properties of 2-ethenyl-2-methoxybut-3-en-1-ol?
2-ethenyl-2-methoxybut-3-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methoxybut-3-en-1-ol is sourced from PubChem (CID 174357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).