ethyl 6-oxaspiro[2.5]octane-2-carboxylate

C10H16O3 — CID 57429837

IUPACethyl 6-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCOCC2
InChIInChI=1S/C10H16O3/c1-2-13-9(11)8-7-10(8)3-5-12-6-4-10/h8H,2-7H2,1H3
InChIKeyYMFHJKPSMOGHHD-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.37
Rot. Bonds2

About ethyl 6-oxaspiro[2.5]octane-2-carboxylate

ethyl 6-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 57429837) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 6-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxaspiro[2.5]octane-2-carboxylate
PubChem CID57429837
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 6-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCOCC2
InChIInChI=1S/C10H16O3/c1-2-13-9(11)8-7-10(8)3-5-12-6-4-10/h8H,2-7H2,1H3
InChIKeyYMFHJKPSMOGHHD-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Diethyloxan-2-one
CID 66730005
Methyl 3-cyclopropyl-3-methylbutanoate
CID 18625543
6-Oxaspiro(2.5)octane-1-carboxylic acid
CID 53275726
3,3-Dimethyl-2-(oxan-4-yl)butanoic acid
CID 58530725
Ethyl 2-(oxan-4-yl)propanoate
CID 67078268
1-(tetrahydro-2H-pyran-4-yl)cyclopropanecarboxylic acid
CID 68653586
3,5-Diethyl-4-propyloxan-2-one
CID 12576600
4-Tert-butyloxan-2-one
CID 13611204
Ethyl 2-methyl-2-tert-butyl-cyclopropane-1-carboxylate
CID 558573
(1S,6R)-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-one
CID 45112997
methyl 2-[(1R,3S)-3-(acetyloxymethyl)-2,2-dimethylcyclopropyl]acetate
CID 45113696
ethyl (2S)-2-(oxan-4-yl)propanoate
CID 96839887

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 6-oxaspiro[2.5]octane-2-carboxylate (CID 57429837) is ethyl 6-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 6-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 6-oxaspiro[2.5]octane-2-carboxylate is CCOC(=O)C1CC12CCOCC2.
What is the InChIKey of ethyl 6-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is YMFHJKPSMOGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-13-9(11)8-7-10(8)3-5-12-6-4-10/h8H,2-7H2,1H3.
What are the key properties of ethyl 6-oxaspiro[2.5]octane-2-carboxylate?
ethyl 6-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 57429837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).