ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

C12H20O4 — CID 567367

IUPACethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1(C)CCCCC12OCCO2
InChIInChI=1S/C12H20O4/c1-3-14-10(13)11(2)6-4-5-7-12(11)15-8-9-16-12/h3-9H2,1-2H3
InChIKeyQFXUJYXEVGUYJD-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds2

About ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 567367) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID567367
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1(C)CCCCC12OCCO2
InChIInChI=1S/C12H20O4/c1-3-14-10(13)11(2)6-4-5-7-12(11)15-8-9-16-12/h3-9H2,1-2H3
InChIKeyQFXUJYXEVGUYJD-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 567367) is ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is CCOC(=O)C1(C)CCCCC12OCCO2.
What is the InChIKey of ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is QFXUJYXEVGUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-14-10(13)11(2)6-4-5-7-12(11)15-8-9-16-12/h3-9H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 567367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).