9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde

C12H14O2 — CID 87751402

IUPAC9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde
SMILESCOC1=CC2CC1C1C(C=O)C=CC21
InChIInChI=1S/C12H14O2/c1-14-11-5-8-4-10(11)12-7(6-13)2-3-9(8)12/h2-3,5-10,12H,4H2,1H3
InChIKeyOZLWSJRZWSRVEC-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.78
Rot. Bonds2

About 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde

9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde (PubChem CID 87751402) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde.

Molecular Properties

Compound Name9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde
PubChem CID87751402
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde
SMILESCOC1=CC2CC1C1C(C=O)C=CC21
InChIInChI=1S/C12H14O2/c1-14-11-5-8-4-10(11)12-7(6-13)2-3-9(8)12/h2-3,5-10,12H,4H2,1H3
InChIKeyOZLWSJRZWSRVEC-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde?
The IUPAC name of 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde (CID 87751402) is 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde.
What is the SMILES notation for 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde?
The canonical SMILES for 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde is COC1=CC2CC1C1C(C=O)C=CC21.
What is the InChIKey of 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde?
The InChIKey is OZLWSJRZWSRVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-11-5-8-4-10(11)12-7(6-13)2-3-9(8)12/h2-3,5-10,12H,4H2,1H3.
What are the key properties of 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde?
9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde has a molecular weight of 190.24 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 9-methoxytricyclo[5.2.1.02,6]deca-4,8-diene-3-carbaldehyde is sourced from PubChem (CID 87751402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).