3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

C15H18N4OSi — CID 101060243

IUPAC3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCC1(C)C=C(O[Si](C)(C)C)CC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C15H18N4OSi/c1-13(2)6-12(20-21(3,4)5)7-14(8-16,9-17)15(13,10-18)11-19/h6H,7H2,1-5H3
InChIKeySOUDTUXHMCFXII-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.22
Rot. Bonds2

About 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile

3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (PubChem CID 101060243) has the molecular formula C15H18N4OSi and a molecular weight of 298.42 g/mol. Its IUPAC name is 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
PubChem CID101060243
Molecular FormulaC15H18N4OSi
Molecular Weight298.42 g/mol
Exact Mass298.12
IUPAC Name3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
SMILESCC1(C)C=C(O[Si](C)(C)C)CC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C15H18N4OSi/c1-13(2)6-12(20-21(3,4)5)7-14(8-16,9-17)15(13,10-18)11-19/h6H,7H2,1-5H3
InChIKeySOUDTUXHMCFXII-UHFFFAOYSA-N
XLogP3.22
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The IUPAC name of 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile (CID 101060243) is 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is CC1(C)C=C(O[Si](C)(C)C)CC(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
The InChIKey is SOUDTUXHMCFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OSi/c1-13(2)6-12(20-21(3,4)5)7-14(8-16,9-17)15(13,10-18)11-19/h6H,7H2,1-5H3.
What are the key properties of 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile?
3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile has a molecular weight of 298.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 101060243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).