3-ethenoxybut-3-en-2-ol

C6H10O2 — CID 139943024

IUPAC3-ethenoxybut-3-en-2-ol
SMILESC=COC(=C)C(C)O
InChIInChI=1S/C6H10O2/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3
InChIKeyNAOHOHPWASHXCU-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.04
Rot. Bonds3

About 3-ethenoxybut-3-en-2-ol

3-ethenoxybut-3-en-2-ol (PubChem CID 139943024) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-ethenoxybut-3-en-2-ol.

Molecular Properties

Compound Name3-ethenoxybut-3-en-2-ol
PubChem CID139943024
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-ethenoxybut-3-en-2-ol
SMILESC=COC(=C)C(C)O
InChIInChI=1S/C6H10O2/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3
InChIKeyNAOHOHPWASHXCU-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxybut-3-en-2-ol?
The IUPAC name of 3-ethenoxybut-3-en-2-ol (CID 139943024) is 3-ethenoxybut-3-en-2-ol.
What is the SMILES notation for 3-ethenoxybut-3-en-2-ol?
The canonical SMILES for 3-ethenoxybut-3-en-2-ol is C=COC(=C)C(C)O.
What is the InChIKey of 3-ethenoxybut-3-en-2-ol?
The InChIKey is NAOHOHPWASHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3.
What are the key properties of 3-ethenoxybut-3-en-2-ol?
3-ethenoxybut-3-en-2-ol has a molecular weight of 114.14 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxybut-3-en-2-ol is sourced from PubChem (CID 139943024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).