dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane

C17H29NO2Si — CID 21024225

IUPACdimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
SMILESCO[Si](C)(OC)C1CCCCCN1CCc1ccccc1
InChIInChI=1S/C17H29NO2Si/c1-19-21(3,20-2)17-12-8-5-9-14-18(17)15-13-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyOPDGQOAIJXNECX-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.38
Rot. Bonds6

About dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane

dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane (PubChem CID 21024225) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
PubChem CID21024225
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Namedimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
SMILESCO[Si](C)(OC)C1CCCCCN1CCc1ccccc1
InChIInChI=1S/C17H29NO2Si/c1-19-21(3,20-2)17-12-8-5-9-14-18(17)15-13-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKeyOPDGQOAIJXNECX-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane?
The IUPAC name of dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane (CID 21024225) is dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane.
What is the SMILES notation for dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane?
The canonical SMILES for dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane is CO[Si](C)(OC)C1CCCCCN1CCc1ccccc1.
What is the InChIKey of dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane?
The InChIKey is OPDGQOAIJXNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-19-21(3,20-2)17-12-8-5-9-14-18(17)15-13-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3.
What are the key properties of dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane?
dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane has a molecular weight of 307.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane is sourced from PubChem (CID 21024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).