dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate

C16H22O6 — CID 102020593

IUPACdimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate
SMILESCCC1=CC(C(=O)OC)=C(C(=O)OC)C12OCC(C)(C)CO2
InChIInChI=1S/C16H22O6/c1-6-10-7-11(13(17)19-4)12(14(18)20-5)16(10)21-8-15(2,3)9-22-16/h7H,6,8-9H2,1-5H3
InChIKeyXTARYGSCBJLZGB-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.75
Rot. Bonds3

About dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate

dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate (PubChem CID 102020593) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate
PubChem CID102020593
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Namedimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate
SMILESCCC1=CC(C(=O)OC)=C(C(=O)OC)C12OCC(C)(C)CO2
InChIInChI=1S/C16H22O6/c1-6-10-7-11(13(17)19-4)12(14(18)20-5)16(10)21-8-15(2,3)9-22-16/h7H,6,8-9H2,1-5H3
InChIKeyXTARYGSCBJLZGB-UHFFFAOYSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate with MolForge

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Related Compounds

methyl (3aS,7aR)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate
CID 162415989
2-tert-butyl-7,7a-dihydro-6H-cyclopenta[d][1,3]dioxin-4-one
CID 548770
methyl (2E)-2-(4,5-diethyl-5-methoxyfuran-2-ylidene)hexanoate
CID 10517030
Cyclopenta-1,3-dioxin-4(6H)-one, 2-(1,1-dimethylethyl)-7,7a-dihydro-, (2s-trans)-
CID 91694336
ethyl (2Z)-4-butyl-2-ethylidene-5-oxofuran-3-carboxylate
CID 59992589
methyl 7-[(3R)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-6-enoate
CID 70600436
Ethyl 4-butyl-2-ethylidene-5-oxofuran-3-carboxylate
CID 72616543
methyl (Z)-7-[(3R)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-6-enoate
CID 145795448
methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate
CID 101499580

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate?
The IUPAC name of dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate (CID 102020593) is dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate is CCC1=CC(C(=O)OC)=C(C(=O)OC)C12OCC(C)(C)CO2.
What is the InChIKey of dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate?
The InChIKey is XTARYGSCBJLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-6-10-7-11(13(17)19-4)12(14(18)20-5)16(10)21-8-15(2,3)9-22-16/h7H,6,8-9H2,1-5H3.
What are the key properties of dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate?
dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate is sourced from PubChem (CID 102020593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).