2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one

C17H30O7 — CID 20704268

IUPAC2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one
SMILESCOC1(C)OC2(C(C)(C)OC(=O)OC2(C)C)C(C)(OC)C1(C)OC
InChIInChI=1S/C17H30O7/c1-12(2)17(13(3,4)23-11(18)22-12)15(6,20-9)14(5,19-8)16(7,21-10)24-17/h1-10H3
InChIKeyWLUAQIZKDDHLEX-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.65
Rot. Bonds3

About 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one

2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one (PubChem CID 20704268) has the molecular formula C17H30O7 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one
PubChem CID20704268
Molecular FormulaC17H30O7
Molecular Weight346.42 g/mol
Exact Mass346.20
IUPAC Name2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one
SMILESCOC1(C)OC2(C(C)(C)OC(=O)OC2(C)C)C(C)(OC)C1(C)OC
InChIInChI=1S/C17H30O7/c1-12(2)17(13(3,4)23-11(18)22-12)15(6,20-9)14(5,19-8)16(7,21-10)24-17/h1-10H3
InChIKeyWLUAQIZKDDHLEX-UHFFFAOYSA-N
XLogP2.65
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one with MolForge

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Related Compounds

3-methoxy-3,4,4-trimethyloxetan-2-one
CID 12611183
(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 11735637
(3S,5S,6S)-5,6-dimethoxy-3,5,6-trimethyl-1,4-dioxan-2-one
CID 71415044
2,2,4,4,5,5-hexamethyloxolan-3-one
CID 130031129
4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
CID 150250693
(2,3,4,5,6-pentafluorophenyl) 4,4,5,6,6-pentamethyl-2-oxo-1,3-dioxane-5-carboxylate
CID 122450375
methyl 5-methoxy-4,4,5-trimethyl-2-oxooxolane-3-carboxylate
CID 10262742
(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate
CID 159559066
methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate
CID 102324737
2-S,3-S-diethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarbothioate
CID 11245044
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858
4,4,5,5,6,6-hexa(propan-2-yl)-1,3-dioxan-2-one
CID 164934214

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one?
The IUPAC name of 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one (CID 20704268) is 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one?
The canonical SMILES for 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one is COC1(C)OC2(C(C)(C)OC(=O)OC2(C)C)C(C)(OC)C1(C)OC.
What is the InChIKey of 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one?
The InChIKey is WLUAQIZKDDHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O7/c1-12(2)17(13(3,4)23-11(18)22-12)15(6,20-9)14(5,19-8)16(7,21-10)24-17/h1-10H3.
What are the key properties of 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one?
2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one has a molecular weight of 346.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 20704268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).