1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid

C10H14O6 — CID 13161285

IUPAC1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC2(CCCCC2)OC1C(=O)O
InChIInChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeyVYDDMTACDYIWEI-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.60
Rot. Bonds2

About 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid

1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid (PubChem CID 13161285) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
PubChem CID13161285
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC2(CCCCC2)OC1C(=O)O
InChIInChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeyVYDDMTACDYIWEI-UHFFFAOYSA-N
XLogP0.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The IUPAC name of 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid (CID 13161285) is 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The canonical SMILES for 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid is O=C(O)C1OC2(CCCCC2)OC1C(=O)O.
What is the InChIKey of 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
The InChIKey is VYDDMTACDYIWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c11-8(12)6-7(9(13)14)16-10(15-6)4-2-1-3-5-10/h6-7H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid?
1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid is sourced from PubChem (CID 13161285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).