2-[2-(2-methylidenecyclopropyl)ethoxy]oxane

C11H18O2 — CID 558899

IUPAC2-[2-(2-methylidenecyclopropyl)ethoxy]oxane
SMILESC=C1CC1CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-9-8-10(9)5-7-13-11-4-2-3-6-12-11/h10-11H,1-8H2
InChIKeyYUINNCKIDUPSOB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane

2-[2-(2-methylidenecyclopropyl)ethoxy]oxane (PubChem CID 558899) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(2-methylidenecyclopropyl)ethoxy]oxane
PubChem CID558899
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[2-(2-methylidenecyclopropyl)ethoxy]oxane
SMILESC=C1CC1CCOC1CCCCO1
InChIInChI=1S/C11H18O2/c1-9-8-10(9)5-7-13-11-4-2-3-6-12-11/h10-11H,1-8H2
InChIKeyYUINNCKIDUPSOB-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane?
The IUPAC name of 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane (CID 558899) is 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane?
The canonical SMILES for 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane is C=C1CC1CCOC1CCCCO1.
What is the InChIKey of 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane?
The InChIKey is YUINNCKIDUPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-8-10(9)5-7-13-11-4-2-3-6-12-11/h10-11H,1-8H2.
What are the key properties of 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane?
2-[2-(2-methylidenecyclopropyl)ethoxy]oxane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylidenecyclopropyl)ethoxy]oxane is sourced from PubChem (CID 558899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).