[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

C27H44O8 — CID 11576893

IUPAC[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(COC(=O)C1CCC2(C1)OCC(C)(C)CO2)COC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C27H44O8/c1-23(2,13-30-21(28)19-7-9-26(11-19)32-15-24(3,4)16-33-26)14-31-22(29)20-8-10-27(12-20)34-17-25(5,6)18-35-27/h19-20H,7-18H2,1-6H3
InChIKeySUZZIIWKQQVBEO-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.24
Rot. Bonds6

About [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 11576893) has the molecular formula C27H44O8 and a molecular weight of 496.64 g/mol. Its IUPAC name is [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID11576893
Molecular FormulaC27H44O8
Molecular Weight496.64 g/mol
Exact Mass496.30
IUPAC Name[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(COC(=O)C1CCC2(C1)OCC(C)(C)CO2)COC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C27H44O8/c1-23(2,13-30-21(28)19-7-9-26(11-19)32-15-24(3,4)16-33-26)14-31-22(29)20-8-10-27(12-20)34-17-25(5,6)18-35-27/h19-20H,7-18H2,1-6H3
InChIKeySUZZIIWKQQVBEO-UHFFFAOYSA-N
XLogP4.24
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate with MolForge

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Related Compounds

8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic Acid
CID 11535852
(3-Hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11543956
(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 15227852
Methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 22906262
(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894625
(S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic acid
CID 58894626
8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894627
Ethyl 6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 66658628
butyl (3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 118121287
8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid;ethane
CID 141818482
[[3-(8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropoxy]-(8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl)methylidene]oxidanium
CID 143325610

Frequently Asked Questions

What is the IUPAC name of [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (CID 11576893) is [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is CC(C)(COC(=O)C1CCC2(C1)OCC(C)(C)CO2)COC(=O)C1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is SUZZIIWKQQVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O8/c1-23(2,13-30-21(28)19-7-9-26(11-19)32-15-24(3,4)16-33-26)14-31-22(29)20-8-10-27(12-20)34-17-25(5,6)18-35-27/h19-20H,7-18H2,1-6H3.
What are the key properties of [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
[3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 496.64 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carbonyl)oxy-2,2-dimethylpropyl] 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 11576893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).