methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

C12H20O4 — CID 22906262

IUPACmethyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H20O4/c1-11(2)7-15-12(16-8-11)5-4-9(6-12)10(13)14-3/h9H,4-8H2,1-3H3
InChIKeyYOZBHGYPIBTEAS-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.73
Rot. Bonds1

About methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate

methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 22906262) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID22906262
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H20O4/c1-11(2)7-15-12(16-8-11)5-4-9(6-12)10(13)14-3/h9H,4-8H2,1-3H3
InChIKeyYOZBHGYPIBTEAS-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate (CID 22906262) is methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is COC(=O)C1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is YOZBHGYPIBTEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-11(2)7-15-12(16-8-11)5-4-9(6-12)10(13)14-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate?
methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 22906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).