(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile

C14H23NOSi — CID 10562724

IUPAC(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile
SMILESC[Si](C)(C)[18O][C@]1(C#N)C[C@H]2C[C@@H]3C[C@H](C2)[C@@H]1C3
InChIInChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)8-11-4-10-5-12(6-11)13(14)7-10/h10-13H,4-8H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1/i16+2
InChIKeyBDNQLLMJXPVELJ-TVVLPKRSSA-N
MW251.43 g/mol
LogP3.56
Rot. Bonds2

About (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile

(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile (PubChem CID 10562724) has the molecular formula C14H23NOSi and a molecular weight of 251.43 g/mol. Its IUPAC name is (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile.

Molecular Properties

Compound Name(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile
PubChem CID10562724
Molecular FormulaC14H23NOSi
Molecular Weight251.43 g/mol
Exact Mass251.16
IUPAC Name(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile
SMILESC[Si](C)(C)[18O][C@]1(C#N)C[C@H]2C[C@@H]3C[C@H](C2)[C@@H]1C3
InChIInChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)8-11-4-10-5-12(6-11)13(14)7-10/h10-13H,4-8H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1/i16+2
InChIKeyBDNQLLMJXPVELJ-TVVLPKRSSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.43
LogP ≤ 53.56
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 (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile?
The IUPAC name of (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile (CID 10562724) is (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile.
What is the SMILES notation for (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile?
The canonical SMILES for (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile is C[Si](C)(C)[18O][C@]1(C#N)C[C@H]2C[C@@H]3C[C@H](C2)[C@@H]1C3.
What is the InChIKey of (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile?
The InChIKey is BDNQLLMJXPVELJ-TVVLPKRSSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)8-11-4-10-5-12(6-11)13(14)7-10/h10-13H,4-8H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1/i16+2.
What are the key properties of (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile?
(1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile has a molecular weight of 251.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,6S,8R)-4-(18O)trimethylsilyloxytricyclo[4.3.1.03,8]decane-4-carbonitrile is sourced from PubChem (CID 10562724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).