2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

C23H45NO4Si — CID 91930388

IUPAC2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CCO[Si](C(C)C)(C(C)C)C(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C23H45NO4Si/c1-18(2)29(19(3)4,20(5)6)28-16-14-22(13-15-26-21(7)25)17-27-23(24-22)11-9-8-10-12-23/h18-20,24H,8-17H2,1-7H3
InChIKeyRTROAJROHRQMEA-UHFFFAOYSA-N
MW427.70 g/mol
LogP5.54
Rot. Bonds10

About 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 91930388) has the molecular formula C23H45NO4Si and a molecular weight of 427.70 g/mol. Its IUPAC name is 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID91930388
Molecular FormulaC23H45NO4Si
Molecular Weight427.70 g/mol
Exact Mass427.31
IUPAC Name2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCCC1(CCO[Si](C(C)C)(C(C)C)C(C)C)COC2(CCCCC2)N1
InChIInChI=1S/C23H45NO4Si/c1-18(2)29(19(3)4,20(5)6)28-16-14-22(13-15-26-21(7)25)17-27-23(24-22)11-9-8-10-12-23/h18-20,24H,8-17H2,1-7H3
InChIKeyRTROAJROHRQMEA-UHFFFAOYSA-N
XLogP5.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.70
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(2-Methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930379
2-(3-(((tert-Butyldimethylsilyl)oxy)methyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930381
Tert-butyl-[2-(3-ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethoxy]-dimethylsilane
CID 176436305

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 91930388) is 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCCC1(CCO[Si](C(C)C)(C(C)C)C(C)C)COC2(CCCCC2)N1.
What is the InChIKey of 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is RTROAJROHRQMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO4Si/c1-18(2)29(19(3)4,20(5)6)28-16-14-22(13-15-26-21(7)25)17-27-23(24-22)11-9-8-10-12-23/h18-20,24H,8-17H2,1-7H3.
What are the key properties of 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 427.70 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 91930388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).