ethyl 1-oxaspiro[4.5]decane-7-carboxylate

C12H20O3 — CID 70215305

IUPACethyl 1-oxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)C1CCCC2(CCCO2)C1
InChIInChI=1S/C12H20O3/c1-2-14-11(13)10-5-3-6-12(9-10)7-4-8-15-12/h10H,2-9H2,1H3
InChIKeyWIOCVYQUZRUQJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds2

About ethyl 1-oxaspiro[4.5]decane-7-carboxylate

ethyl 1-oxaspiro[4.5]decane-7-carboxylate (PubChem CID 70215305) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 1-oxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxaspiro[4.5]decane-7-carboxylate
PubChem CID70215305
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 1-oxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)C1CCCC2(CCCO2)C1
InChIInChI=1S/C12H20O3/c1-2-14-11(13)10-5-3-6-12(9-10)7-4-8-15-12/h10H,2-9H2,1H3
InChIKeyWIOCVYQUZRUQJZ-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
CID 15833866
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate
CID 154702888
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058

Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl 1-oxaspiro[4.5]decane-7-carboxylate (CID 70215305) is ethyl 1-oxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl 1-oxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl 1-oxaspiro[4.5]decane-7-carboxylate is CCOC(=O)C1CCCC2(CCCO2)C1.
What is the InChIKey of ethyl 1-oxaspiro[4.5]decane-7-carboxylate?
The InChIKey is WIOCVYQUZRUQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-14-11(13)10-5-3-6-12(9-10)7-4-8-15-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-oxaspiro[4.5]decane-7-carboxylate?
ethyl 1-oxaspiro[4.5]decane-7-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 70215305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).