tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane

C18H29NO2Si — CID 73075140

IUPACtert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC23C1=NOC2C1C=CC3C1
InChIInChI=1S/C18H29NO2Si/c1-17(2,3)22(4,5)21-14-7-6-10-18-13-9-8-12(11-13)16(18)20-19-15(14)18/h8-9,12-14,16H,6-7,10-11H2,1-5H3
InChIKeyVSYRUQXDZYBLTI-UHFFFAOYSA-N
MW319.52 g/mol
LogP4.51
Rot. Bonds2

About tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane

tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane (PubChem CID 73075140) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane
PubChem CID73075140
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Nametert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC23C1=NOC2C1C=CC3C1
InChIInChI=1S/C18H29NO2Si/c1-17(2,3)22(4,5)21-14-7-6-10-18-13-9-8-12(11-13)16(18)20-19-15(14)18/h8-9,12-14,16H,6-7,10-11H2,1-5H3
InChIKeyVSYRUQXDZYBLTI-UHFFFAOYSA-N
XLogP4.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.51
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'}

Analyze tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(1R,2R,5S,6S)-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]tricyclo[4.3.1.12,5]undec-3-en-10-one
CID 10496973
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013197
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
CID 91495673
CID 91495673
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
tert-butyl-[(1S,3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 134887343
tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
CID 11026310
trans-(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 11122068
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane (CID 73075140) is tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane is CC(C)(C)[Si](C)(C)OC1CCCC23C1=NOC2C1C=CC3C1.
What is the InChIKey of tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane?
The InChIKey is VSYRUQXDZYBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-17(2,3)22(4,5)21-14-7-6-10-18-13-9-8-12(11-13)16(18)20-19-15(14)18/h8-9,12-14,16H,6-7,10-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane?
tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane has a molecular weight of 319.52 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(9-oxa-8-azatetracyclo[9.2.1.02,7.02,10]tetradeca-7,12-dien-6-yloxy)silane is sourced from PubChem (CID 73075140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).