4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile

C15H25NOSi — CID 15212899

IUPAC4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
SMILESCC12CCCCC1=CC(C#N)(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H25NOSi/c1-14-8-6-5-7-13(14)11-15(12-16,10-9-14)17-18(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBNUOQWCGRLDABQ-UHFFFAOYSA-N
MW263.46 g/mol
LogP4.40
Rot. Bonds2

About 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile

4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile (PubChem CID 15212899) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
PubChem CID15212899
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC Name4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
SMILESCC12CCCCC1=CC(C#N)(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H25NOSi/c1-14-8-6-5-7-13(14)11-15(12-16,10-9-14)17-18(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBNUOQWCGRLDABQ-UHFFFAOYSA-N
XLogP4.40
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile?
The IUPAC name of 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile (CID 15212899) is 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile?
The canonical SMILES for 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile is CC12CCCCC1=CC(C#N)(O[Si](C)(C)C)CC2.
What is the InChIKey of 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile?
The InChIKey is BNUOQWCGRLDABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-14-8-6-5-7-13(14)11-15(12-16,10-9-14)17-18(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile?
4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile has a molecular weight of 263.46 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 15212899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).