2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane

C18H31NO3Si — CID 154406169

IUPAC2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
SMILESCCO[Si]1(OCC)CCCCCCN(c2ccccc2)CCO1
InChIInChI=1S/C18H31NO3Si/c1-3-20-23(21-4-2)17-11-6-5-10-14-19(15-16-22-23)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3
InChIKeyVQADUYATXGVJQG-UHFFFAOYSA-N
MW337.54 g/mol
LogP4.10
Rot. Bonds5

About 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane

2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane (PubChem CID 154406169) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane.

Molecular Properties

Compound Name2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
PubChem CID154406169
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Name2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
SMILESCCO[Si]1(OCC)CCCCCCN(c2ccccc2)CCO1
InChIInChI=1S/C18H31NO3Si/c1-3-20-23(21-4-2)17-11-6-5-10-14-19(15-16-22-23)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3
InChIKeyVQADUYATXGVJQG-UHFFFAOYSA-N
XLogP4.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.10
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

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1-phenylpiperidine;phosphenous acid
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4-(4-pyrrolidin-1-ylphenyl)morpholine
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1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane?
The IUPAC name of 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane (CID 154406169) is 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane.
What is the SMILES notation for 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane?
The canonical SMILES for 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane is CCO[Si]1(OCC)CCCCCCN(c2ccccc2)CCO1.
What is the InChIKey of 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane?
The InChIKey is VQADUYATXGVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-3-20-23(21-4-2)17-11-6-5-10-14-19(15-16-22-23)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3.
What are the key properties of 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane?
2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane has a molecular weight of 337.54 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane is sourced from PubChem (CID 154406169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).