3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid

C10H14O4 — CID 53243639

IUPAC3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid
SMILESO=C(O)CCC1=CCC2(C1)OCCO2
InChIInChI=1S/C10H14O4/c11-9(12)2-1-8-3-4-10(7-8)13-5-6-14-10/h3H,1-2,4-7H2,(H,11,12)
InChIKeyLWMPLUPYADMDIM-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.31
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid

3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid (PubChem CID 53243639) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid
PubChem CID53243639
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid
SMILESO=C(O)CCC1=CCC2(C1)OCCO2
InChIInChI=1S/C10H14O4/c11-9(12)2-1-8-3-4-10(7-8)13-5-6-14-10/h3H,1-2,4-7H2,(H,11,12)
InChIKeyLWMPLUPYADMDIM-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexa-1,4-dien-1-ylpropanoic acid
CID 10986432
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
CID 163629049
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71344896
3-[4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylsulfonyl)phenyl]propanoic acid
CID 154841848
3-(5,5-ditert-butyl-4-hydroxycyclohexa-1,3-dien-1-yl)propanoic acid
CID 19782908
3-[4-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methoxy]phenyl]propanoic acid
CID 130350894
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
3-[4-methyl-5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]propanoic acid
CID 175729691
3-cyclotetradeca-1,3-dien-1-ylpropanoic acid
CID 70614861
3-(7',7'-dimethylspiro[1,3-dioxolane-2,5'-4,6-dihydroindazole]-2'-yl)propanoic acid
CID 166652651
3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
CID 10583976

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid?
The IUPAC name of 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid (CID 53243639) is 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid?
The canonical SMILES for 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid is O=C(O)CCC1=CCC2(C1)OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid?
The InChIKey is LWMPLUPYADMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-9(12)2-1-8-3-4-10(7-8)13-5-6-14-10/h3H,1-2,4-7H2,(H,11,12).
What are the key properties of 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid?
3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.4]non-7-en-8-yl)propanoic acid is sourced from PubChem (CID 53243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).