trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane

C21H37NO3Si — CID 21024256

IUPACtrimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
SMILESCO[Si](OC)(OC)C1CCCCCCCCCN1CCc1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-23-26(24-2,25-3)21-16-12-7-5-4-6-8-13-18-22(21)19-17-20-14-10-9-11-15-20/h9-11,14-15,21H,4-8,12-13,16-19H2,1-3H3
InChIKeyJKVKUZRTIFREMN-UHFFFAOYSA-N
MW379.62 g/mol
LogP4.45
Rot. Bonds7

About trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane

trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane (PubChem CID 21024256) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
PubChem CID21024256
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Nametrimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
SMILESCO[Si](OC)(OC)C1CCCCCCCCCN1CCc1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-23-26(24-2,25-3)21-16-12-7-5-4-6-8-13-18-22(21)19-17-20-14-10-9-11-15-20/h9-11,14-15,21H,4-8,12-13,16-19H2,1-3H3
InChIKeyJKVKUZRTIFREMN-UHFFFAOYSA-N
XLogP4.45
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
CID 21024225
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
CID 21024249
(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
CID 21024188
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
CID 54603548
2-phenyl-2-[1-(2-phenylethyl)piperidin-2-yl]ethanol
CID 75969231
(1-benzylazonan-2-yl)-diethoxy-methylsilane
CID 21024204
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane?
The IUPAC name of trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane (CID 21024256) is trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane.
What is the SMILES notation for trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane?
The canonical SMILES for trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane is CO[Si](OC)(OC)C1CCCCCCCCCN1CCc1ccccc1.
What is the InChIKey of trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane?
The InChIKey is JKVKUZRTIFREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3Si/c1-23-26(24-2,25-3)21-16-12-7-5-4-6-8-13-18-22(21)19-17-20-14-10-9-11-15-20/h9-11,14-15,21H,4-8,12-13,16-19H2,1-3H3.
What are the key properties of trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane?
trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane has a molecular weight of 379.62 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane is sourced from PubChem (CID 21024256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).