trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane

C28H27NOSi — CID 164814308

IUPACtrimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane
SMILESCc1ccc2nc3c(cc2c1)C(C)(C)c1ccc([Si](C)(C)C)c2oc4cccc-3c4c12
InChIInChI=1S/C28H27NOSi/c1-16-10-12-21-17(14-16)15-20-26(29-21)18-8-7-9-22-24(18)25-19(28(20,2)3)11-13-23(27(25)30-22)31(4,5)6/h7-15H,1-6H3
InChIKeyDWGRTHFHFRJWEC-UHFFFAOYSA-N
MW421.62 g/mol
LogP7.29
Rot. Bonds1

About trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane

trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane (PubChem CID 164814308) has the molecular formula C28H27NOSi and a molecular weight of 421.62 g/mol. Its IUPAC name is trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane.

Molecular Properties

Compound Nametrimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane
PubChem CID164814308
Molecular FormulaC28H27NOSi
Molecular Weight421.62 g/mol
Exact Mass421.19
IUPAC Nametrimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane
SMILESCc1ccc2nc3c(cc2c1)C(C)(C)c1ccc([Si](C)(C)C)c2oc4cccc-3c4c12
InChIInChI=1S/C28H27NOSi/c1-16-10-12-21-17(14-16)15-20-26(29-21)18-8-7-9-22-24(18)25-19(28(20,2)3)11-13-23(27(25)30-22)31(4,5)6/h7-15H,1-6H3
InChIKeyDWGRTHFHFRJWEC-UHFFFAOYSA-N
XLogP7.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane with MolForge

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Related Compounds

(16,16-dimethyl-2-trimethylsilyl-24-oxa-7,14-diazahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaen-20-yl)-trimethylsilane
CID 164815091
12,16,16-trimethyl-20-propan-2-yl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaene
CID 164815447
7,12,12-trimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaene
CID 164748474
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
10,12,12-trimethyl-20-oxa-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164814685
CID 164814953
CID 164814953
20-(2,2-dimethylpropyl)-16,16-dimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814946
20-tert-butyl-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814467
2,7-dimethylacridine
CID 14490101
20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814572
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 170028240

Frequently Asked Questions

What is the IUPAC name of trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane?
The IUPAC name of trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane (CID 164814308) is trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane.
What is the SMILES notation for trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane?
The canonical SMILES for trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane is Cc1ccc2nc3c(cc2c1)C(C)(C)c1ccc([Si](C)(C)C)c2oc4cccc-3c4c12.
What is the InChIKey of trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane?
The InChIKey is DWGRTHFHFRJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NOSi/c1-16-10-12-21-17(14-16)15-20-26(29-21)18-8-7-9-22-24(18)25-19(28(20,2)3)11-13-23(27(25)30-22)31(4,5)6/h7-15H,1-6H3.
What are the key properties of trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane?
trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane has a molecular weight of 421.62 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(11,16,16-trimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaen-20-yl)silane is sourced from PubChem (CID 164814308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).