4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde

C18H24OSi — CID 174370189

IUPAC4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESCC1(C)CCC(C=O)c2cc(C#C[Si](C)(C)C)ccc21
InChIInChI=1S/C18H24OSi/c1-18(2)10-8-15(13-19)16-12-14(6-7-17(16)18)9-11-20(3,4)5/h6-7,12-13,15H,8,10H2,1-5H3
InChIKeySIKZLNWZJHTOAO-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.27
Rot. Bonds1

About 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde

4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde (PubChem CID 174370189) has the molecular formula C18H24OSi and a molecular weight of 284.48 g/mol. Its IUPAC name is 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde
PubChem CID174370189
Molecular FormulaC18H24OSi
Molecular Weight284.48 g/mol
Exact Mass284.16
IUPAC Name4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde
SMILESCC1(C)CCC(C=O)c2cc(C#C[Si](C)(C)C)ccc21
InChIInChI=1S/C18H24OSi/c1-18(2)10-8-15(13-19)16-12-14(6-7-17(16)18)9-11-20(3,4)5/h6-7,12-13,15H,8,10H2,1-5H3
InChIKeySIKZLNWZJHTOAO-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The IUPAC name of 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde (CID 174370189) is 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The canonical SMILES for 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde is CC1(C)CCC(C=O)c2cc(C#C[Si](C)(C)C)ccc21.
What is the InChIKey of 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
The InChIKey is SIKZLNWZJHTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OSi/c1-18(2)10-8-15(13-19)16-12-14(6-7-17(16)18)9-11-20(3,4)5/h6-7,12-13,15H,8,10H2,1-5H3.
What are the key properties of 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde?
4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde has a molecular weight of 284.48 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7-(2-trimethylsilylethynyl)-2,3-dihydro-1H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 174370189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).