ethenoxyethene;2-methylprop-1-ene

C8H14O — CID 23355502

IUPACethenoxyethene;2-methylprop-1-ene
SMILESC=C(C)C.C=COC=C
InChIInChI=1S/C4H6O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H,1-2H2;1H2,2-3H3
InChIKeyXIAMPRPHUCFFGX-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.87
Rot. Bonds2

About ethenoxyethene;2-methylprop-1-ene

ethenoxyethene;2-methylprop-1-ene (PubChem CID 23355502) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is ethenoxyethene;2-methylprop-1-ene.

Molecular Properties

Compound Nameethenoxyethene;2-methylprop-1-ene
PubChem CID23355502
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameethenoxyethene;2-methylprop-1-ene
SMILESC=C(C)C.C=COC=C
InChIInChI=1S/C4H6O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H,1-2H2;1H2,2-3H3
InChIKeyXIAMPRPHUCFFGX-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;2-methylprop-1-ene?
The IUPAC name of ethenoxyethene;2-methylprop-1-ene (CID 23355502) is ethenoxyethene;2-methylprop-1-ene.
What is the SMILES notation for ethenoxyethene;2-methylprop-1-ene?
The canonical SMILES for ethenoxyethene;2-methylprop-1-ene is C=C(C)C.C=COC=C.
What is the InChIKey of ethenoxyethene;2-methylprop-1-ene?
The InChIKey is XIAMPRPHUCFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H,1-2H2;1H2,2-3H3.
What are the key properties of ethenoxyethene;2-methylprop-1-ene?
ethenoxyethene;2-methylprop-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;2-methylprop-1-ene is sourced from PubChem (CID 23355502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).