dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate

C11H16O6 — CID 11010180

IUPACdimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C2(C1)OCCO2
InChIInChI=1S/C11H16O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7)16-3-4-17-11/h7-8H,3-6H2,1-2H3
InChIKeyKODZDEBOHLISTP-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.10
Rot. Bonds2

About dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate

dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate (PubChem CID 11010180) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate
PubChem CID11010180
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C2(C1)OCCO2
InChIInChI=1S/C11H16O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7)16-3-4-17-11/h7-8H,3-6H2,1-2H3
InChIKeyKODZDEBOHLISTP-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
(1R,7R)-4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-one
CID 134856055
(1S,2S,6R,7S)-4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-one
CID 638737
1,4-Dioxaspiro[4.4]nonane-7,9-dicarboxylic acid
CID 10889293
(1R,2R,6S,7R)-4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-one
CID 11138066
4,4-Dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-one
CID 15585938
Ethyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 245433
Dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
CID 22467065
ethyl (3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 25194157
ethyl 2-[(2S,3S,4R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyloxolan-3-yl]acetate
CID 59906174
dimethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate
CID 67192207
diethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate
CID 67193395

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate?
The IUPAC name of dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate (CID 11010180) is dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate.
What is the SMILES notation for dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate?
The canonical SMILES for dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate is COC(=O)C1CC(C(=O)OC)C2(C1)OCCO2.
What is the InChIKey of dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate?
The InChIKey is KODZDEBOHLISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-14-9(12)7-5-8(10(13)15-2)11(6-7)16-3-4-17-11/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate?
dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate is sourced from PubChem (CID 11010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).