benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane

C17H19NOSi — CID 102184407

IUPACbenzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C17H19NOSi/c1-20(2,3)12-15-13-8-4-6-10-16(13)19-17-11-7-5-9-14(17)18-15/h4-11H,12H2,1-3H3
InChIKeyUXJXEBKDWXVVMZ-UHFFFAOYSA-N
MW281.43 g/mol
LogP5.25
Rot. Bonds2

About benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane

benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane (PubChem CID 102184407) has the molecular formula C17H19NOSi and a molecular weight of 281.43 g/mol. Its IUPAC name is benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Namebenzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane
PubChem CID102184407
Molecular FormulaC17H19NOSi
Molecular Weight281.43 g/mol
Exact Mass281.12
IUPAC Namebenzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C17H19NOSi/c1-20(2,3)12-15-13-8-4-6-10-16(13)19-17-11-7-5-9-14(17)18-15/h4-11H,12H2,1-3H3
InChIKeyUXJXEBKDWXVVMZ-UHFFFAOYSA-N
XLogP5.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzo[b][1,4]benzoxazepine-6-carbonitrile
CID 15629768
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
6-tert-butylbenzo[b][1,4]benzoxazepine;9-tert-butyl-9H-fluorene
CID 158099980
6-(chloromethyl)-8,10-dimethylbenzo[b][1,4]benzoxazepine
CID 23340366
6-(4-chlorobutyl)-9-methoxybenzo[b][1,4]benzoxazepine
CID 10519453
6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 70036913
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 18940413
4-benzo[b][1,4]benzoxazepin-6-yl-N,N-dimethylpiperazine-1-sulfonamide
CID 166248279
(2S)-1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)butan-2-ol
CID 166370801
8-(18F)fluoro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 46846857
(5Z)-5-chromeno[2,3-c]pyridin-5-ylidenechromeno[2,3-c]pyridine
CID 118396540

Frequently Asked Questions

What is the IUPAC name of benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane?
The IUPAC name of benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane (CID 102184407) is benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane.
What is the SMILES notation for benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane?
The canonical SMILES for benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane is C[Si](C)(C)CC1=Nc2ccccc2Oc2ccccc21.
What is the InChIKey of benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane?
The InChIKey is UXJXEBKDWXVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOSi/c1-20(2,3)12-15-13-8-4-6-10-16(13)19-17-11-7-5-9-14(17)18-15/h4-11H,12H2,1-3H3.
What are the key properties of benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane?
benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane has a molecular weight of 281.43 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,4]benzoxazepin-6-ylmethyl(trimethyl)silane is sourced from PubChem (CID 102184407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).