bicyclo[2.2.2]octane;ethyl formate

C11H20O2 — CID 174816311

IUPACbicyclo[2.2.2]octane;ethyl formate
SMILESC1CC2CCC1CC2.CCOC=O
InChIInChI=1S/C8H14.C3H6O2/c1-2-8-5-3-7(1)4-6-8;1-2-5-3-4/h7-8H,1-6H2;3H,2H2,1H3
InChIKeySRTZGXPCVZCPSX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds2

About bicyclo[2.2.2]octane;ethyl formate

bicyclo[2.2.2]octane;ethyl formate (PubChem CID 174816311) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is bicyclo[2.2.2]octane;ethyl formate.

Molecular Properties

Compound Namebicyclo[2.2.2]octane;ethyl formate
PubChem CID174816311
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namebicyclo[2.2.2]octane;ethyl formate
SMILESC1CC2CCC1CC2.CCOC=O
InChIInChI=1S/C8H14.C3H6O2/c1-2-8-5-3-7(1)4-6-8;1-2-5-3-4/h7-8H,1-6H2;3H,2H2,1H3
InChIKeySRTZGXPCVZCPSX-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octane;ethyl formate?
The IUPAC name of bicyclo[2.2.2]octane;ethyl formate (CID 174816311) is bicyclo[2.2.2]octane;ethyl formate.
What is the SMILES notation for bicyclo[2.2.2]octane;ethyl formate?
The canonical SMILES for bicyclo[2.2.2]octane;ethyl formate is C1CC2CCC1CC2.CCOC=O.
What is the InChIKey of bicyclo[2.2.2]octane;ethyl formate?
The InChIKey is SRTZGXPCVZCPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C3H6O2/c1-2-8-5-3-7(1)4-6-8;1-2-5-3-4/h7-8H,1-6H2;3H,2H2,1H3.
What are the key properties of bicyclo[2.2.2]octane;ethyl formate?
bicyclo[2.2.2]octane;ethyl formate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octane;ethyl formate is sourced from PubChem (CID 174816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).