2-methoxybicyclo[2.2.2]octane-2-carbaldehyde

C10H16O2 — CID 126997159

IUPAC2-methoxybicyclo[2.2.2]octane-2-carbaldehyde
SMILESCOC1(C=O)CC2CCC1CC2
InChIInChI=1S/C10H16O2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h7-9H,2-6H2,1H3
InChIKeyPDORRTGPOQJIPJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde

2-methoxybicyclo[2.2.2]octane-2-carbaldehyde (PubChem CID 126997159) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde.

Molecular Properties

Compound Name2-methoxybicyclo[2.2.2]octane-2-carbaldehyde
PubChem CID126997159
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methoxybicyclo[2.2.2]octane-2-carbaldehyde
SMILESCOC1(C=O)CC2CCC1CC2
InChIInChI=1S/C10H16O2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h7-9H,2-6H2,1H3
InChIKeyPDORRTGPOQJIPJ-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
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 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde?
The IUPAC name of 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde (CID 126997159) is 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde.
What is the SMILES notation for 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde?
The canonical SMILES for 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde is COC1(C=O)CC2CCC1CC2.
What is the InChIKey of 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde?
The InChIKey is PDORRTGPOQJIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10(7-11)6-8-2-4-9(10)5-3-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde?
2-methoxybicyclo[2.2.2]octane-2-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybicyclo[2.2.2]octane-2-carbaldehyde is sourced from PubChem (CID 126997159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).