trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane

C18H27NO2Si — CID 14590234

IUPACtrimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane
SMILESC[Si](C)(C)OC12CCCCCC1CC(c1ccccc1)=NO2
InChIInChI=1S/C18H27NO2Si/c1-22(2,3)21-18-13-9-5-8-12-16(18)14-17(19-20-18)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKeyDFBURYDNLOVSCD-UHFFFAOYSA-N
MW317.50 g/mol
LogP4.94
Rot. Bonds3

About trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane

trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane (PubChem CID 14590234) has the molecular formula C18H27NO2Si and a molecular weight of 317.50 g/mol. Its IUPAC name is trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane
PubChem CID14590234
Molecular FormulaC18H27NO2Si
Molecular Weight317.50 g/mol
Exact Mass317.18
IUPAC Nametrimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane
SMILESC[Si](C)(C)OC12CCCCCC1CC(c1ccccc1)=NO2
InChIInChI=1S/C18H27NO2Si/c1-22(2,3)21-18-13-9-5-8-12-16(18)14-17(19-20-18)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKeyDFBURYDNLOVSCD-UHFFFAOYSA-N
XLogP4.94
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4aR,8aS)-2-(4-chlorophenyl)-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate
CID 24949046
(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13207354
3'-phenylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]
CID 11976350
methyl (4S,4aR,8aR)-4-phenyl-8a-trimethylsilyloxy-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 12072267
[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane
CID 10687915
1-cycloheptyl-1-phenoxycycloheptane
CID 174805076
(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene
CID 101487996
N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
CID 134862944
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51079253
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
CID 86006235

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane?
The IUPAC name of trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane (CID 14590234) is trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane?
The canonical SMILES for trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane is C[Si](C)(C)OC12CCCCCC1CC(c1ccccc1)=NO2.
What is the InChIKey of trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane?
The InChIKey is DFBURYDNLOVSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2Si/c1-22(2,3)21-18-13-9-5-8-12-16(18)14-17(19-20-18)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3.
What are the key properties of trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane?
trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane has a molecular weight of 317.50 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane is sourced from PubChem (CID 14590234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).