ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate

C11H16O4 — CID 11790518

IUPACethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
SMILESCCOC(=O)C1=CCCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h5H,2-4,6-8H2,1H3
InChIKeyMHSPXVXPFJSJDC-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.40
Rot. Bonds2

About ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate

ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate (PubChem CID 11790518) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
PubChem CID11790518
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
SMILESCCOC(=O)C1=CCCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h5H,2-4,6-8H2,1H3
InChIKeyMHSPXVXPFJSJDC-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 9-hexyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 134134102
Methyl 9-methyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 134155166
Methyl 1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 12563052
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 86703721
Ethyl 6-(acetyloxy)cyclohex-1-ene-1-carboxylate
CID 13929854
methyl (7E)-1,4-dioxaspiro[4.7]dodec-7-ene-7-carboxylate
CID 13296490
2-[2-[(E)-5-ethoxy-4-methyl-5-oxopent-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135010803
2-[2-[(E)-6-ethoxy-6-oxohex-4-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135011198
2-[2-[(E)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135011200
methyl (3aR,6S,7aS)-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 135033016
2-[2-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135038753
methyl (3aR,6S,7aS)-6-(methoxymethoxy)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 135044568

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate?
The IUPAC name of ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate (CID 11790518) is ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate.
What is the SMILES notation for ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate?
The canonical SMILES for ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate is CCOC(=O)C1=CCCCC12OCCO2.
What is the InChIKey of ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate?
The InChIKey is MHSPXVXPFJSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h5H,2-4,6-8H2,1H3.
What are the key properties of ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate?
ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate is sourced from PubChem (CID 11790518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).