1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid

C9H12O6 — CID 10889293

IUPAC1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C2(C1)OCCO2
InChIInChI=1S/C9H12O6/c10-7(11)5-3-6(8(12)13)9(4-5)14-1-2-15-9/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYBWCTGQQUPIGCT-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.08
Rot. Bonds2

About 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid

1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid (PubChem CID 10889293) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid.

Molecular Properties

Compound Name1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid
PubChem CID10889293
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C2(C1)OCCO2
InChIInChI=1S/C9H12O6/c10-7(11)5-3-6(8(12)13)9(4-5)14-1-2-15-9/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYBWCTGQQUPIGCT-UHFFFAOYSA-N
XLogP-0.08
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dioxaspiro[4.4]nonane-7-carboxylic acid
CID 21467222
4,5-Diacetyloxycyclopentane-1,3-dicarboxylic acid
CID 267750
Dimethyl 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylate
CID 11010180
2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 23202100
(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 53915337
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
3-Ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
CID 89463262
(3aR,4S,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 122532203
methyl (3aR,4S,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 122532204
(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 169760511
2-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 170298487

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid?
The IUPAC name of 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid (CID 10889293) is 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid.
What is the SMILES notation for 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid?
The canonical SMILES for 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid is O=C(O)C1CC(C(=O)O)C2(C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid?
The InChIKey is YBWCTGQQUPIGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c10-7(11)5-3-6(8(12)13)9(4-5)14-1-2-15-9/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid?
1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.4]nonane-7,9-dicarboxylic acid is sourced from PubChem (CID 10889293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).