ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate

C17H22O6 — CID 134296071

IUPACethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/C2(O)CCC3(CC2)OCCO3)o1
InChIInChI=1S/C17H22O6/c1-2-20-15(18)14-4-3-13(23-14)5-6-16(19)7-9-17(10-8-16)21-11-12-22-17/h3-6,19H,2,7-12H2,1H3/b6-5+
InChIKeyJQZFFQVUNPMTKN-AATRIKPKSA-N
MW322.36 g/mol
LogP2.52
Rot. Bonds4

About ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate

ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate (PubChem CID 134296071) has the molecular formula C17H22O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate
PubChem CID134296071
Molecular FormulaC17H22O6
Molecular Weight322.36 g/mol
Exact Mass322.14
IUPAC Nameethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/C2(O)CCC3(CC2)OCCO3)o1
InChIInChI=1S/C17H22O6/c1-2-20-15(18)14-4-3-13(23-14)5-6-16(19)7-9-17(10-8-16)21-11-12-22-17/h3-6,19H,2,7-12H2,1H3/b6-5+
InChIKeyJQZFFQVUNPMTKN-AATRIKPKSA-N
XLogP2.52
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
5-[(E)-3-ethoxy-3-oxoprop-1-enyl]furan-2-carboxylic acid
CID 14929374
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 5-triethoxygermylfuran-2-carboxylate
CID 71429750
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
zinc;ethyl 5-methanidylfuran-2-carboxylate;chloride
CID 57349193
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
ethyl 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51366413
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
1-[5-[(E)-2-(5-acetylfuran-2-yl)ethenyl]furan-2-yl]ethanone
CID 2306820
ethyl 5-(2,2-dichloroacetyl)furan-2-carboxylate
CID 146010164
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate (CID 134296071) is ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate is CCOC(=O)c1ccc(/C=C/C2(O)CCC3(CC2)OCCO3)o1.
What is the InChIKey of ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate?
The InChIKey is JQZFFQVUNPMTKN-AATRIKPKSA-N. The full InChI is InChI=1S/C17H22O6/c1-2-20-15(18)14-4-3-13(23-14)5-6-16(19)7-9-17(10-8-16)21-11-12-22-17/h3-6,19H,2,7-12H2,1H3/b6-5+.
What are the key properties of ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate?
ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]furan-2-carboxylate is sourced from PubChem (CID 134296071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).