ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate

C12H20O4 — CID 10561320

IUPACethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(13)10-4-6-12(7-5-10)15-8-3-9-16-12/h10H,2-9H2,1H3
InChIKeyVPJFVGPOPZHVJU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds2

About ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate

ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate (PubChem CID 10561320) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate
PubChem CID10561320
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)OCCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(13)10-4-6-12(7-5-10)15-8-3-9-16-12/h10H,2-9H2,1H3
InChIKeyVPJFVGPOPZHVJU-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 1,5-dioxaspiro[5.5]undecane-9-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 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane-3-carboxylate
CID 44450481
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate
CID 91636192
methyl (1S,3R,4S)-3-fluoro-4-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 117816770
Methyl (1s,4s)-4-(pentyloxy)cyclohexane-1-carboxylate
CID 114450461
(5-Butyl-1,3-dioxan-2-yl) 4-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)cyclohexane-1-carboxylate
CID 20615316
trans-ethyl (1S,4S)-3-fluoro-4-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 57908120
Methoxymethyl 4-(2,2-difluoropropanoyloxy)cyclohexane-1-carboxylate
CID 58114686
Methyl 3-fluoro-4-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 67074502
Ethyl 4,4-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexane-1-carboxylate
CID 87700223
Methyl 4,4-bis(fluoromethoxy)cyclohexane-1-carboxylate
CID 117798823

Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate (CID 10561320) is ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate is CCOC(=O)C1CCC2(CC1)OCCCO2.
What is the InChIKey of ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate?
The InChIKey is VPJFVGPOPZHVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-14-11(13)10-4-6-12(7-5-10)15-8-3-9-16-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 1,5-dioxaspiro[5.5]undecane-9-carboxylate?
ethyl 1,5-dioxaspiro[5.5]undecane-9-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 1,5-dioxaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 10561320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).