(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile

C14H25NOSi — CID 101133005

IUPAC(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@](C#N)(O[Si](C)(C)C)C2
InChIInChI=1S/C14H25NOSi/c1-12(2)11-7-8-13(12,3)14(9-11,10-15)16-17(4,5)6/h11H,7-9H2,1-6H3/t11-,13-,14+/m1/s1
InChIKeyZYXLSWOSEYNVLC-BNOWGMLFSA-N
MW251.45 g/mol
LogP3.95
Rot. Bonds2

About (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile

(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 101133005) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID101133005
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@](C#N)(O[Si](C)(C)C)C2
InChIInChI=1S/C14H25NOSi/c1-12(2)11-7-8-13(12,3)14(9-11,10-15)16-17(4,5)6/h11H,7-9H2,1-6H3/t11-,13-,14+/m1/s1
InChIKeyZYXLSWOSEYNVLC-BNOWGMLFSA-N
XLogP3.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
CID 85424118
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
(1R,3S,3aS,6aS)-3a,6a-dimethyl-3-trimethylsilyloxy-2,4-dihydro-1H-pentalene-1,3-dicarbonitrile
CID 132648547
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile
CID 102100995
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
CID 131741972
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
CID 141126262
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
[(2S,3R)-3-phenyloxiran-2-yl]-[(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxy-2-bicyclo[2.2.1]heptanyl]methanone
CID 10547315
(1R,2R,3'R,4R)-1,7,7-trimethyl-3'-(prop-2-ynoxymethyl)spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]
CID 11630033

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile (CID 101133005) is (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile is CC1(C)[C@@H]2CC[C@@]1(C)[C@](C#N)(O[Si](C)(C)C)C2.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is ZYXLSWOSEYNVLC-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-12(2)11-7-8-13(12,3)14(9-11,10-15)16-17(4,5)6/h11H,7-9H2,1-6H3/t11-,13-,14+/m1/s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile?
(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 251.45 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 101133005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).