spiro[2.5]octane-7,7-dicarboxylic acid

C10H14O4 — CID 134849425

IUPACspiro[2.5]octane-7,7-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCC2(CC2)C1
InChIInChI=1S/C10H14O4/c11-7(12)10(8(13)14)3-1-2-9(6-10)4-5-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeySNKMLHGZOGMNSC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.50
Rot. Bonds2

About spiro[2.5]octane-7,7-dicarboxylic acid

spiro[2.5]octane-7,7-dicarboxylic acid (PubChem CID 134849425) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is spiro[2.5]octane-7,7-dicarboxylic acid.

Molecular Properties

Compound Namespiro[2.5]octane-7,7-dicarboxylic acid
PubChem CID134849425
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namespiro[2.5]octane-7,7-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCC2(CC2)C1
InChIInChI=1S/C10H14O4/c11-7(12)10(8(13)14)3-1-2-9(6-10)4-5-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeySNKMLHGZOGMNSC-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 11355506
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CID 175391690
alumane;cyclohexane-1,1-dicarboxylic acid
CID 175587551
cyclohexane-1,1-dicarboxylic acid;zinc
CID 134612672
2-[(1,1-dioxothian-4-yl)carbamoyl]spiro[3.3]heptane-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octane-7,7-dicarboxylic acid?
The IUPAC name of spiro[2.5]octane-7,7-dicarboxylic acid (CID 134849425) is spiro[2.5]octane-7,7-dicarboxylic acid.
What is the SMILES notation for spiro[2.5]octane-7,7-dicarboxylic acid?
The canonical SMILES for spiro[2.5]octane-7,7-dicarboxylic acid is O=C(O)C1(C(=O)O)CCCC2(CC2)C1.
What is the InChIKey of spiro[2.5]octane-7,7-dicarboxylic acid?
The InChIKey is SNKMLHGZOGMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-7(12)10(8(13)14)3-1-2-9(6-10)4-5-9/h1-6H2,(H,11,12)(H,13,14).
What are the key properties of spiro[2.5]octane-7,7-dicarboxylic acid?
spiro[2.5]octane-7,7-dicarboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octane-7,7-dicarboxylic acid is sourced from PubChem (CID 134849425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).