2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate

C20H35NO6 — CID 57135066

IUPAC2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
SMILESCC(=O)OCCN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(C)=O)CO2
InChIInChI=1S/C20H35NO6/c1-15(22)24-9-8-21-17(3,4)10-20(11-18(21,5)6)26-13-19(7,14-27-20)12-25-16(2)23/h8-14H2,1-7H3
InChIKeyUZZVEJCYVSMTSC-UHFFFAOYSA-N
MW385.50 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate

2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate (PubChem CID 57135066) has the molecular formula C20H35NO6 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
PubChem CID57135066
Molecular FormulaC20H35NO6
Molecular Weight385.50 g/mol
Exact Mass385.25
IUPAC Name2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
SMILESCC(=O)OCCN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(C)=O)CO2
InChIInChI=1S/C20H35NO6/c1-15(22)24-9-8-21-17(3,4)10-20(11-18(21,5)6)26-13-19(7,14-27-20)12-25-16(2)23/h8-14H2,1-7H3
InChIKeyUZZVEJCYVSMTSC-UHFFFAOYSA-N
XLogP2.52
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate?
The IUPAC name of 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate (CID 57135066) is 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate?
The canonical SMILES for 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate is CC(=O)OCCN1C(C)(C)CC2(CC1(C)C)OCC(C)(COC(C)=O)CO2.
What is the InChIKey of 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate?
The InChIKey is UZZVEJCYVSMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO6/c1-15(22)24-9-8-21-17(3,4)10-20(11-18(21,5)6)26-13-19(7,14-27-20)12-25-16(2)23/h8-14H2,1-7H3.
What are the key properties of 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate?
2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate has a molecular weight of 385.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate is sourced from PubChem (CID 57135066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).