2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid

C11H16O4 — CID 103546339

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid
SMILESCC(C(=O)O)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H16O4/c1-8(10(12)13)9-2-4-11(5-3-9)14-6-7-15-11/h2-7H2,1H3,(H,12,13)
InChIKeyGCHLCATVEWWOPA-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.70
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid (PubChem CID 103546339) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid
PubChem CID103546339
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid
SMILESCC(C(=O)O)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H16O4/c1-8(10(12)13)9-2-4-11(5-3-9)14-6-7-15-11/h2-7H2,1H3,(H,12,13)
InChIKeyGCHLCATVEWWOPA-UHFFFAOYSA-N
XLogP1.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetate
CID 163240178
2-(3-Fluoro-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 175459011
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
CID 103546340
2-(3-Methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 326126
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate
CID 15602021
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 18476082
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate
CID 59334653
4-(1,3-Dioxolan-4-yl)-2-ethyl-3-methylbut-2-enoic acid
CID 67696242
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)butanoic acid
CID 90376622
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)butanoate
CID 118666295
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)butanoate
CID 130301291
3-(1,4-Dioxaspiro[4.5]decan-3-yl)-2-methylprop-2-enoic acid
CID 140267625

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid (CID 103546339) is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid is CC(C(=O)O)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid?
The InChIKey is GCHLCATVEWWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(10(12)13)9-2-4-11(5-3-9)14-6-7-15-11/h2-7H2,1H3,(H,12,13).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid?
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoic acid is sourced from PubChem (CID 103546339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).