1-ethenoxybut-2-ene

C6H10O — CID 54206132

IUPAC1-ethenoxybut-2-ene
SMILESC=COCC=CC
InChIInChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3
InChIKeyPSPHUEMBSBTXKQ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.72
Rot. Bonds3

About 1-ethenoxybut-2-ene

1-ethenoxybut-2-ene (PubChem CID 54206132) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-ethenoxybut-2-ene.

Molecular Properties

Compound Name1-ethenoxybut-2-ene
PubChem CID54206132
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-ethenoxybut-2-ene
SMILESC=COCC=CC
InChIInChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3
InChIKeyPSPHUEMBSBTXKQ-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenoxybut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-1-enoxybut-2-ene
CID 21944
1-bromo-3-ethenoxyprop-1-ene
CID 174651295
N-[(Z)-but-2-enoxy]methanamine
CID 147128663
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
ethenyl (E)-hex-4-enoate
CID 87134137
(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene
CID 11009764
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
but-2-enoxy(trimethyl)silane
CID 554664
hexa-1,4-diene
CID 163631115
[(E)-but-2-enyl]-tris(prop-2-enoxy)silane
CID 141085162
2-but-2-enoxyprop-2-en-1-ol
CID 57114953
1,6-bis(but-2-enoxy)hexane
CID 173425920

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxybut-2-ene?
The IUPAC name of 1-ethenoxybut-2-ene (CID 54206132) is 1-ethenoxybut-2-ene.
What is the SMILES notation for 1-ethenoxybut-2-ene?
The canonical SMILES for 1-ethenoxybut-2-ene is C=COCC=CC.
What is the InChIKey of 1-ethenoxybut-2-ene?
The InChIKey is PSPHUEMBSBTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3.
What are the key properties of 1-ethenoxybut-2-ene?
1-ethenoxybut-2-ene has a molecular weight of 98.14 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxybut-2-ene is sourced from PubChem (CID 54206132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).