8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile

C15H25NOSi — CID 134892231

IUPAC8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile
SMILESCC12CCCCC1(C#N)C=C(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H25NOSi/c1-14-8-5-6-9-15(14,12-16)11-13(7-10-14)17-18(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBTOUGBHFCCNXBQ-UHFFFAOYSA-N
MW263.46 g/mol
LogP4.61
Rot. Bonds2

About 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile

8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile (PubChem CID 134892231) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile.

Molecular Properties

Compound Name8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile
PubChem CID134892231
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC Name8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile
SMILESCC12CCCCC1(C#N)C=C(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H25NOSi/c1-14-8-5-6-9-15(14,12-16)11-13(7-10-14)17-18(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBTOUGBHFCCNXBQ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile?
The IUPAC name of 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile (CID 134892231) is 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile.
What is the SMILES notation for 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile?
The canonical SMILES for 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile is CC12CCCCC1(C#N)C=C(O[Si](C)(C)C)CC2.
What is the InChIKey of 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile?
The InChIKey is BTOUGBHFCCNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-14-8-5-6-9-15(14,12-16)11-13(7-10-14)17-18(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile?
8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile has a molecular weight of 263.46 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-6-trimethylsilyloxy-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile is sourced from PubChem (CID 134892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).