1-(diethoxymethyl)-2-methylidenecyclopropane

C9H16O2 — CID 568462

IUPAC1-(diethoxymethyl)-2-methylidenecyclopropane
SMILESC=C1CC1C(OCC)OCC
InChIInChI=1S/C9H16O2/c1-4-10-9(11-5-2)8-6-7(8)3/h8-9H,3-6H2,1-2H3
InChIKeyZRUNGZLLJASUOE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds5

About 1-(diethoxymethyl)-2-methylidenecyclopropane

1-(diethoxymethyl)-2-methylidenecyclopropane (PubChem CID 568462) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(diethoxymethyl)-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-(diethoxymethyl)-2-methylidenecyclopropane
PubChem CID568462
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(diethoxymethyl)-2-methylidenecyclopropane
SMILESC=C1CC1C(OCC)OCC
InChIInChI=1S/C9H16O2/c1-4-10-9(11-5-2)8-6-7(8)3/h8-9H,3-6H2,1-2H3
InChIKeyZRUNGZLLJASUOE-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-2-methylidenecyclopropane?
The IUPAC name of 1-(diethoxymethyl)-2-methylidenecyclopropane (CID 568462) is 1-(diethoxymethyl)-2-methylidenecyclopropane.
What is the SMILES notation for 1-(diethoxymethyl)-2-methylidenecyclopropane?
The canonical SMILES for 1-(diethoxymethyl)-2-methylidenecyclopropane is C=C1CC1C(OCC)OCC.
What is the InChIKey of 1-(diethoxymethyl)-2-methylidenecyclopropane?
The InChIKey is ZRUNGZLLJASUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-10-9(11-5-2)8-6-7(8)3/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-(diethoxymethyl)-2-methylidenecyclopropane?
1-(diethoxymethyl)-2-methylidenecyclopropane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-2-methylidenecyclopropane is sourced from PubChem (CID 568462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).