dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate

C17H29NO7 — CID 91325032

IUPACdimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OC(C(=O)OC)C(C(=O)OC)O2
InChIInChI=1S/C17H29NO7/c1-7-16(8-2)10-17(9-15(3,4)18(16)21)24-11(13(19)22-5)12(25-17)14(20)23-6/h11-12,21H,7-10H2,1-6H3
InChIKeyMPZAGWYTWBVUOP-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.64
Rot. Bonds4

About dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate

dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate (PubChem CID 91325032) has the molecular formula C17H29NO7 and a molecular weight of 359.42 g/mol. Its IUPAC name is dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate
PubChem CID91325032
Molecular FormulaC17H29NO7
Molecular Weight359.42 g/mol
Exact Mass359.19
IUPAC Namedimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OC(C(=O)OC)C(C(=O)OC)O2
InChIInChI=1S/C17H29NO7/c1-7-16(8-2)10-17(9-15(3,4)18(16)21)24-11(13(19)22-5)12(25-17)14(20)23-6/h11-12,21H,7-10H2,1-6H3
InChIKeyMPZAGWYTWBVUOP-UHFFFAOYSA-N
XLogP1.64
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate with MolForge

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Related Compounds

2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]
CID 69266599
3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68842482
3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 69267645
methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 11462575
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
dimethyl (2R,3R)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
CID 11988481
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
methyl 5-(2-hydroxyacetyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 76718826
(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
CID 139888921
methyl (2R,3S,5R,6R)-3-tert-butylsulfanylcarbonyl-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 11792150
CID 58891878
CID 58891878
methyl 2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 175959014

Frequently Asked Questions

What is the IUPAC name of dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate?
The IUPAC name of dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate (CID 91325032) is dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate is CCC1(CC)CC2(CC(C)(C)N1O)OC(C(=O)OC)C(C(=O)OC)O2.
What is the InChIKey of dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate?
The InChIKey is MPZAGWYTWBVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO7/c1-7-16(8-2)10-17(9-15(3,4)18(16)21)24-11(13(19)22-5)12(25-17)14(20)23-6/h11-12,21H,7-10H2,1-6H3.
What are the key properties of dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate?
dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate has a molecular weight of 359.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate is sourced from PubChem (CID 91325032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).