5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde

C14H18O4Si — CID 14661875

IUPAC5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde
SMILESC[Si](C)(C)OC1C=CCC2C(=O)C=CC(=O)C12C=O
InChIInChI=1S/C14H18O4Si/c1-19(2,3)18-13-6-4-5-10-11(16)7-8-12(17)14(10,13)9-15/h4,6-10,13H,5H2,1-3H3
InChIKeyLQAXJSJISYACKO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.68
Rot. Bonds3

About 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde

5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde (PubChem CID 14661875) has the molecular formula C14H18O4Si and a molecular weight of 278.38 g/mol. Its IUPAC name is 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde.

Molecular Properties

Compound Name5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde
PubChem CID14661875
Molecular FormulaC14H18O4Si
Molecular Weight278.38 g/mol
Exact Mass278.10
IUPAC Name5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde
SMILESC[Si](C)(C)OC1C=CCC2C(=O)C=CC(=O)C12C=O
InChIInChI=1S/C14H18O4Si/c1-19(2,3)18-13-6-4-5-10-11(16)7-8-12(17)14(10,13)9-15/h4,6-10,13H,5H2,1-3H3
InChIKeyLQAXJSJISYACKO-UHFFFAOYSA-N
XLogP1.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde?
The IUPAC name of 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde (CID 14661875) is 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde.
What is the SMILES notation for 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde?
The canonical SMILES for 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde is C[Si](C)(C)OC1C=CCC2C(=O)C=CC(=O)C12C=O.
What is the InChIKey of 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde?
The InChIKey is LQAXJSJISYACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4Si/c1-19(2,3)18-13-6-4-5-10-11(16)7-8-12(17)14(10,13)9-15/h4,6-10,13H,5H2,1-3H3.
What are the key properties of 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde?
5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde has a molecular weight of 278.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxo-4-trimethylsilyloxy-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde is sourced from PubChem (CID 14661875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).