tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane

C19H35NO2Si — CID 135020516

IUPACtert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1=NOC(C2=C(C)CC(O[Si](C)(C)C(C)(C)C)CC2(C)C)C1
InChIInChI=1S/C19H35NO2Si/c1-13-10-15(22-23(8,9)18(3,4)5)12-19(6,7)17(13)16-11-14(2)20-21-16/h15-16H,10-12H2,1-9H3
InChIKeySRKPWSYJJNXQCR-UHFFFAOYSA-N
MW337.58 g/mol
LogP5.68
Rot. Bonds3

About tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane (PubChem CID 135020516) has the molecular formula C19H35NO2Si and a molecular weight of 337.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane
PubChem CID135020516
Molecular FormulaC19H35NO2Si
Molecular Weight337.58 g/mol
Exact Mass337.24
IUPAC Nametert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1=NOC(C2=C(C)CC(O[Si](C)(C)C(C)(C)C)CC2(C)C)C1
InChIInChI=1S/C19H35NO2Si/c1-13-10-15(22-23(8,9)18(3,4)5)12-19(6,7)17(13)16-11-14(2)20-21-16/h15-16H,10-12H2,1-9H3
InChIKeySRKPWSYJJNXQCR-UHFFFAOYSA-N
XLogP5.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane (CID 135020516) is tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane is CC1=NOC(C2=C(C)CC(O[Si](C)(C)C(C)(C)C)CC2(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is SRKPWSYJJNXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2Si/c1-13-10-15(22-23(8,9)18(3,4)5)12-19(6,7)17(13)16-11-14(2)20-21-16/h15-16H,10-12H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 337.58 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 135020516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).