1-(1-methoxyethenyl)-1-methylcyclopropane

C7H12O — CID 89345083

IUPAC1-(1-methoxyethenyl)-1-methylcyclopropane
SMILESC=C(OC)C1(C)CC1
InChIInChI=1S/C7H12O/c1-6(8-3)7(2)4-5-7/h1,4-5H2,2-3H3
InChIKeyGZBGMTACVGMDLV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds2

About 1-(1-methoxyethenyl)-1-methylcyclopropane

1-(1-methoxyethenyl)-1-methylcyclopropane (PubChem CID 89345083) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1-(1-methoxyethenyl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(1-methoxyethenyl)-1-methylcyclopropane
PubChem CID89345083
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1-(1-methoxyethenyl)-1-methylcyclopropane
SMILESC=C(OC)C1(C)CC1
InChIInChI=1S/C7H12O/c1-6(8-3)7(2)4-5-7/h1,4-5H2,2-3H3
InChIKeyGZBGMTACVGMDLV-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethenyl)-1-methylcyclopropane?
The IUPAC name of 1-(1-methoxyethenyl)-1-methylcyclopropane (CID 89345083) is 1-(1-methoxyethenyl)-1-methylcyclopropane.
What is the SMILES notation for 1-(1-methoxyethenyl)-1-methylcyclopropane?
The canonical SMILES for 1-(1-methoxyethenyl)-1-methylcyclopropane is C=C(OC)C1(C)CC1.
What is the InChIKey of 1-(1-methoxyethenyl)-1-methylcyclopropane?
The InChIKey is GZBGMTACVGMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(8-3)7(2)4-5-7/h1,4-5H2,2-3H3.
What are the key properties of 1-(1-methoxyethenyl)-1-methylcyclopropane?
1-(1-methoxyethenyl)-1-methylcyclopropane has a molecular weight of 112.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethenyl)-1-methylcyclopropane is sourced from PubChem (CID 89345083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).