ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate

C9H14O4 — CID 86713762

IUPACethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)C1CC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c1-2-11-8(10)7-5-9(6-7)12-3-4-13-9/h7H,2-6H2,1H3
InChIKeyRERWSAFIDBHVML-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.70
Rot. Bonds2

About ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate

ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate (PubChem CID 86713762) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
PubChem CID86713762
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)C1CC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c1-2-11-8(10)7-5-9(6-7)12-3-4-13-9/h7H,2-6H2,1H3
InChIKeyRERWSAFIDBHVML-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl (1'R,2'R,3'aR,6'aS)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
CID 14061416
ethyl (1'R,2'S,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylate
CID 14061415
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
CID 15833866
ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 139016609
ethyl (1'R,5'S)-spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]oct-6-ene]-8'-carboxylate
CID 10514146
ethyl 2-[(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
CID 155087803
ethyl 2-[(3'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]propanoate
CID 155016731
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
ethyl 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-carboxylate
CID 151449279
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283

Frequently Asked Questions

What is the IUPAC name of ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate?
The IUPAC name of ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate (CID 86713762) is ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate is CCOC(=O)C1CC2(C1)OCCO2.
What is the InChIKey of ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate?
The InChIKey is RERWSAFIDBHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-11-8(10)7-5-9(6-7)12-3-4-13-9/h7H,2-6H2,1H3.
What are the key properties of ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate?
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 86713762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).