[[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

C27H45O8+ — CID 143325610

IUPAC[[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
SMILES[H]/[O+]=C(\OCC(C)(C)COC(=O)C1CCC2(C1)OCC(C)(C)CO2)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/p+1
InChIKeySUZZIIWKQQVBEO-UHFFFAOYSA-O
MW497.65 g/mol
LogP4.21
Rot. Bonds6

About [[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

[[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 (PubChem CID 143325610) has the molecular formula C27H45O8+ and a molecular weight of 497.65 g/mol. Its IUPAC name is [[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.

Molecular Properties

Compound Name[[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
PubChem CID143325610
Molecular FormulaC27H45O8+
Molecular Weight497.65 g/mol
Exact Mass497.31
IUPAC Name[[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
SMILES[H]/[O+]=C(\OCC(C)(C)COC(=O)C1CCC2(C1)OCC(C)(C)CO2)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/p+1
InChIKeySUZZIIWKQQVBEO-UHFFFAOYSA-O
XLogP4.21
TPSA93.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [[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 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
[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
(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
3,8,8-Trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 59540758
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
8-Methyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 143713718

Frequently Asked Questions

What is the IUPAC name of [[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?
The IUPAC name of [[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) is [[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.
What is the SMILES notation for [[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?
The canonical SMILES for [[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 is [H]/[O+]=C(\OCC(C)(C)COC(=O)C1CCC2(C1)OCC(C)(C)CO2)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-dimethylpropoxy]-(8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl)methylidene]oxidanium?
The InChIKey is SUZZIIWKQQVBEO-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [[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?
[[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 has a molecular weight of 497.65 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-dimethylpropoxy]-(8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl)methylidene]oxidanium is sourced from PubChem (CID 143325610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).