(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde

C24H20O2 — CID 59971454

IUPAC(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde
SMILESCC1[C@@H](C=O)C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C24H20O2/c1-17-22(16-25)24(19-12-6-3-7-13-19)21-15-9-8-14-20(21)23(17,26-24)18-10-4-2-5-11-18/h2-17,22H,1H3/t17?,22-,23?,24?/m1/s1
InChIKeyFALKUKGYEQFCGD-CLZPHKAASA-N
MW340.42 g/mol
LogP4.67
Rot. Bonds3

About (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde

(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde (PubChem CID 59971454) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde.

Molecular Properties

Compound Name(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde
PubChem CID59971454
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde
SMILESCC1[C@@H](C=O)C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C24H20O2/c1-17-22(16-25)24(19-12-6-3-7-13-19)21-15-9-8-14-20(21)23(17,26-24)18-10-4-2-5-11-18/h2-17,22H,1H3/t17?,22-,23?,24?/m1/s1
InChIKeyFALKUKGYEQFCGD-CLZPHKAASA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.67
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 (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde?
The IUPAC name of (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde (CID 59971454) is (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde.
What is the SMILES notation for (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde?
The canonical SMILES for (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde is CC1[C@@H](C=O)C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12.
What is the InChIKey of (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde?
The InChIKey is FALKUKGYEQFCGD-CLZPHKAASA-N. The full InChI is InChI=1S/C24H20O2/c1-17-22(16-25)24(19-12-6-3-7-13-19)21-15-9-8-14-20(21)23(17,26-24)18-10-4-2-5-11-18/h2-17,22H,1H3/t17?,22-,23?,24?/m1/s1.
What are the key properties of (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde?
(9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde has a molecular weight of 340.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-10-methyl-1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carbaldehyde is sourced from PubChem (CID 59971454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).