ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate

C11H16O4 — CID 11789092

IUPACethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCCOC(=O)C1C=CCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyIQARFQGPCMDQDI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds2

About ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate

ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (PubChem CID 11789092) 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-7-ene-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
PubChem CID11789092
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCCOC(=O)C1C=CCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyIQARFQGPCMDQDI-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
Ethyl 2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetate
CID 11447817
methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11701289
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 60124804
2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]acetic acid
CID 60124911
2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 68373433
ethyl (3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 70952287
ethyl (3aR,7aS)-2,2-diethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 70952400
[4-methyl-5-oxo-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]oxolan-3-yl] acetate
CID 71081324
Ethyl 2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 77967838
Ethyl 2,2-diethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 77967893

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The IUPAC name of ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (CID 11789092) is ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate.
What is the SMILES notation for ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The canonical SMILES for ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate is CCOC(=O)C1C=CCCC12OCCO2.
What is the InChIKey of ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The InChIKey is IQARFQGPCMDQDI-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/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.26, 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-7-ene-6-carboxylate is sourced from PubChem (CID 11789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).