bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate

C33H58N2O8 — CID 135254049

IUPACbis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate
SMILESCN1C(C)(C)CC2(CC1(C)C)OCC(C)(OC(=O)CCCC(=O)OC1(C)COC3(CC(C)(C)N(C)C(C)(C)C3)OC1)CO2
InChIInChI=1S/C33H58N2O8/c1-26(2)16-32(17-27(3,4)34(26)11)38-20-30(9,21-39-32)42-24(36)14-13-15-25(37)43-31(10)22-40-33(41-23-31)18-28(5,6)35(12)29(7,8)19-33/h13-23H2,1-12H3
InChIKeyDNTXNEILPROAOK-UHFFFAOYSA-N
MW610.83 g/mol
LogP4.81
Rot. Bonds6

About bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate

bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate (PubChem CID 135254049) has the molecular formula C33H58N2O8 and a molecular weight of 610.83 g/mol. Its IUPAC name is bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate.

Molecular Properties

Compound Namebis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate
PubChem CID135254049
Molecular FormulaC33H58N2O8
Molecular Weight610.83 g/mol
Exact Mass610.42
IUPAC Namebis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate
SMILESCN1C(C)(C)CC2(CC1(C)C)OCC(C)(OC(=O)CCCC(=O)OC1(C)COC3(CC(C)(C)N(C)C(C)(C)C3)OC1)CO2
InChIInChI=1S/C33H58N2O8/c1-26(2)16-32(17-27(3,4)34(26)11)38-20-30(9,21-39-32)42-24(36)14-13-15-25(37)43-31(10)22-40-33(41-23-31)18-28(5,6)35(12)29(7,8)19-33/h13-23H2,1-12H3
InChIKeyDNTXNEILPROAOK-UHFFFAOYSA-N
XLogP4.81
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane
CID 135254028
3-[(1E,6E)-7-(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)hepta-1,6-dienyl]-3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 135254039
ethyl 3-[(3-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]prop-2-enoate
CID 57102499
(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl pyridine-3-carboxylate
CID 57294482
[9-(acetylperoxymethyl)-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl] 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanoate
CID 87132608
3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 135254050
(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
CID 139888921
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis[(7,7,8,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl] carbonate
CID 54042397
2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
CID 57135066
(2,2,5-trimethyl-1,3-dioxan-5-yl) acetate
CID 143439186
(2-methyl-1,3-dioxan-2-yl) nonanoate
CID 177076090

Frequently Asked Questions

What is the IUPAC name of bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate?
The IUPAC name of bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate (CID 135254049) is bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate.
What is the SMILES notation for bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate?
The canonical SMILES for bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate is CN1C(C)(C)CC2(CC1(C)C)OCC(C)(OC(=O)CCCC(=O)OC1(C)COC3(CC(C)(C)N(C)C(C)(C)C3)OC1)CO2.
What is the InChIKey of bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate?
The InChIKey is DNTXNEILPROAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58N2O8/c1-26(2)16-32(17-27(3,4)34(26)11)38-20-30(9,21-39-32)42-24(36)14-13-15-25(37)43-31(10)22-40-33(41-23-31)18-28(5,6)35(12)29(7,8)19-33/h13-23H2,1-12H3.
What are the key properties of bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate?
bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate has a molecular weight of 610.83 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate is sourced from PubChem (CID 135254049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).