3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)

C47H78N10O16 — CID 159060818

IUPAC3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)
SMILESCN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)OC(=O)N(C)C(=O)O2.CN1CCC2(CCN(C)C(=O)O2)OC1=O.CN1CCC2(CCN(C)C(=O)O2)OC1=O
InChIInChI=1S/2C10H18N2O2.3C9H14N2O4/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10;2*1-10-5-3-9(14-7(10)12)4-6-11(2)8(13)15-9;1-10-5-3-9(4-6-10)14-7(12)11(2)8(13)15-9/h2*3-8H2,1-2H3;3*3-6H2,1-2H3
InChIKeyJYLDSCRJJXJECV-UHFFFAOYSA-N
MW1039.19 g/mol
LogP3.73
Rot. Bonds

About 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)

3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) (PubChem CID 159060818) has the molecular formula C47H78N10O16 and a molecular weight of 1039.19 g/mol. Its IUPAC name is 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one).

Molecular Properties

Compound Name3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)
PubChem CID159060818
Molecular FormulaC47H78N10O16
Molecular Weight1039.19 g/mol
Exact Mass1038.56
IUPAC Name3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)
SMILESCN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)OC(=O)N(C)C(=O)O2.CN1CCC2(CCN(C)C(=O)O2)OC1=O.CN1CCC2(CCN(C)C(=O)O2)OC1=O
InChIInChI=1S/2C10H18N2O2.3C9H14N2O4/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10;2*1-10-5-3-9(14-7(10)12)4-6-11(2)8(13)15-9;1-10-5-3-9(4-6-10)14-7(12)11(2)8(13)15-9/h2*3-8H2,1-2H3;3*3-6H2,1-2H3
InChIKeyJYLDSCRJJXJECV-UHFFFAOYSA-N
XLogP3.73
TPSA242.80 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.19
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)?
The IUPAC name of 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) (CID 159060818) is 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one).
What is the SMILES notation for 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)?
The canonical SMILES for 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) is CN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)OC(=O)N(C)C(=O)O2.CN1CCC2(CCN(C)C(=O)O2)OC1=O.CN1CCC2(CCN(C)C(=O)O2)OC1=O.
What is the InChIKey of 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)?
The InChIKey is JYLDSCRJJXJECV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O2.3C9H14N2O4/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10;2*1-10-5-3-9(14-7(10)12)4-6-11(2)8(13)15-9;1-10-5-3-9(4-6-10)14-7(12)11(2)8(13)15-9/h2*3-8H2,1-2H3;3*3-6H2,1-2H3.
What are the key properties of 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)?
3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) has a molecular weight of 1039.19 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one) is sourced from PubChem (CID 159060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).