Isobutenyl vinyl ether

C6H10O — CID 21625926

IUPAC1-ethenoxy-2-methylprop-1-ene
SMILESCC(=COC=C)C
InChIInChI=1S/C6H10O/c1-4-7-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyJDNMUPJPZXFQAG-UHFFFAOYSA-N
MW98.14 g/mol
LogP2.20
Rot. Bonds2

About Isobutenyl vinyl ether

Isobutenyl vinyl ether (PubChem CID 21625926) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-ethenoxy-2-methylprop-1-ene.

Molecular Properties

Compound NameIsobutenyl vinyl ether
PubChem CID21625926
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-ethenoxy-2-methylprop-1-ene
SMILESCC(=COC=C)C
InChIInChI=1S/C6H10O/c1-4-7-5-6(2)3/h4-5H,1H2,2-3H3
InChIKeyJDNMUPJPZXFQAG-UHFFFAOYSA-N
XLogP2.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity78

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propenyl ethyl ether
CID 5365091
Ethyl 1-propenyl ether
CID 13570
1-Propene, 1-methoxy-
CID 111290
1-Methoxy-1-propene
CID 637914
Ethyl propenyl ether
CID 5354319
Propenyl ether
CID 5362775
1-Propene, 1-methoxy-, (1Z)-
CID 643770
(E)-1-Propenylvinylether
CID 5463053
Ether,1-propenyl propyl
CID 5365240
1-((Prop-1-en-1-yl)oxy)prop-1-ene
CID 138323
2-Methyl-1-(2-methylprop-1-enoxy)prop-1-ene
CID 238798
1-Propene, 1-methoxy-2-methyl-
CID 551188

Frequently Asked Questions

What is the IUPAC name of Isobutenyl vinyl ether?
The IUPAC name of Isobutenyl vinyl ether (CID 21625926) is 1-ethenoxy-2-methylprop-1-ene.
What is the SMILES notation for Isobutenyl vinyl ether?
The canonical SMILES for Isobutenyl vinyl ether is CC(=COC=C)C.
What is the InChIKey of Isobutenyl vinyl ether?
The InChIKey is JDNMUPJPZXFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-7-5-6(2)3/h4-5H,1H2,2-3H3.
What are the key properties of Isobutenyl vinyl ether?
Isobutenyl vinyl ether has a molecular weight of 98.14 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Isobutenyl vinyl ether is sourced from PubChem (CID 21625926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).