6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile

C18H24N4OSi — CID 15891468

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCC1(C)C=CC(O[Si](C)(C)C(C)(C)C)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C18H24N4OSi/c1-15(2,3)24(6,7)23-14-8-9-16(4,5)18(12-21,13-22)17(14,10-19)11-20/h8-9,14H,1-7H3
InChIKeyUJPWXONQEGQAOK-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.04
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile

6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile (PubChem CID 15891468) has the molecular formula C18H24N4OSi and a molecular weight of 340.50 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
PubChem CID15891468
Molecular FormulaC18H24N4OSi
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCC1(C)C=CC(O[Si](C)(C)C(C)(C)C)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C18H24N4OSi/c1-15(2,3)24(6,7)23-14-8-9-16(4,5)18(12-21,13-22)17(14,10-19)11-20/h8-9,14H,1-7H3
InChIKeyUJPWXONQEGQAOK-UHFFFAOYSA-N
XLogP4.04
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'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 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile (CID 15891468) is 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile is CC1(C)C=CC(O[Si](C)(C)C(C)(C)C)C(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The InChIKey is UJPWXONQEGQAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OSi/c1-15(2,3)24(6,7)23-14-8-9-16(4,5)18(12-21,13-22)17(14,10-19)11-20/h8-9,14H,1-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile?
6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile has a molecular weight of 340.50 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 15891468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).