ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

C12H20O5 — CID 59030543

IUPACethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h13H,2-9H2,1H3
InChIKeyZGQOMNJGQIGNBW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.85
Rot. Bonds3

About ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 59030543) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID59030543
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h13H,2-9H2,1H3
InChIKeyZGQOMNJGQIGNBW-UHFFFAOYSA-N
XLogP0.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-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-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030594
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid
CID 11745334
8-Methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 22591379
Butyl 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 118448629
8-O-ethyl 8-O'-fluoro 1,4-dioxaspiro[4.5]decane-8,8-dicarboxylate
CID 144500134
8-(Fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 162678887
1,1-Cyclohexanedicarboxylic acid, 4-hydroxy-, dimethyl ester
CID 586627
Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 19004805
8-(Difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 162678888
8-(Trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 162678889
Ethyl 3-ethoxy-8-hydroxy-1-oxo-2-oxaspiro[4.5]decane-3-carboxylate
CID 21675902
Methyl 8-hydroxy-3-methoxy-1-oxo-2-oxaspiro[4.5]decane-3-carboxylate
CID 21675903

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 59030543) is ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(CO)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZGQOMNJGQIGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-2-15-10(14)11(9-13)3-5-12(6-4-11)16-7-8-17-12/h13H,2-9H2,1H3.
What are the key properties of ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59030543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).