2-prop-2-enoxyethylidenecyclopropane

C8H12O — CID 139262185

IUPAC2-prop-2-enoxyethylidenecyclopropane
SMILESC=CCOCC=C1CC1
InChIInChI=1S/C8H12O/c1-2-6-9-7-5-8-3-4-8/h2,5H,1,3-4,6-7H2
InChIKeyXBJIUIQAORMENH-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds4

About 2-prop-2-enoxyethylidenecyclopropane

2-prop-2-enoxyethylidenecyclopropane (PubChem CID 139262185) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-prop-2-enoxyethylidenecyclopropane.

Molecular Properties

Compound Name2-prop-2-enoxyethylidenecyclopropane
PubChem CID139262185
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-prop-2-enoxyethylidenecyclopropane
SMILESC=CCOCC=C1CC1
InChIInChI=1S/C8H12O/c1-2-6-9-7-5-8-3-4-8/h2,5H,1,3-4,6-7H2
InChIKeyXBJIUIQAORMENH-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethylidenecyclopropane?
The IUPAC name of 2-prop-2-enoxyethylidenecyclopropane (CID 139262185) is 2-prop-2-enoxyethylidenecyclopropane.
What is the SMILES notation for 2-prop-2-enoxyethylidenecyclopropane?
The canonical SMILES for 2-prop-2-enoxyethylidenecyclopropane is C=CCOCC=C1CC1.
What is the InChIKey of 2-prop-2-enoxyethylidenecyclopropane?
The InChIKey is XBJIUIQAORMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-6-9-7-5-8-3-4-8/h2,5H,1,3-4,6-7H2.
What are the key properties of 2-prop-2-enoxyethylidenecyclopropane?
2-prop-2-enoxyethylidenecyclopropane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethylidenecyclopropane is sourced from PubChem (CID 139262185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).