methyl 1-oxaspiro[4.4]nonane-8-carboxylate

C10H16O3 — CID 54083792

IUPACmethyl 1-oxaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)C1CCC2(CCCO2)C1
InChIInChI=1S/C10H16O3/c1-12-9(11)8-3-5-10(7-8)4-2-6-13-10/h8H,2-7H2,1H3
InChIKeyMOYZIYVNNHWSQN-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds1

About methyl 1-oxaspiro[4.4]nonane-8-carboxylate

methyl 1-oxaspiro[4.4]nonane-8-carboxylate (PubChem CID 54083792) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 1-oxaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxaspiro[4.4]nonane-8-carboxylate
PubChem CID54083792
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 1-oxaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)C1CCC2(CCCO2)C1
InChIInChI=1S/C10H16O3/c1-12-9(11)8-3-5-10(7-8)4-2-6-13-10/h8H,2-7H2,1H3
InChIKeyMOYZIYVNNHWSQN-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-tert-Butyl 2-(5-oxotetrahydrofuran-2-yl)cyclopropanecarboxylate
CID 49831088
ethyl 4-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]butanoate
CID 134919074
methyl 3-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]propanoate
CID 134979225
(3R,4aS,7aR)-6-methoxy-3,6-dimethyl-3,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 134989273
(3S,4R,4aR,7aR)-6-methoxy-3,4,6-trimethyl-3,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 134989581
(5R,7S,8S)-4,4-dimethyl-8-propan-2-yloxycarbonyl-1-oxaspiro[4.4]nonane-7-carboxylic acid
CID 138984766
7-Hydroxy-7-methyl-2-oxaspiro[4.4]nonane-1-one
CID 168654917
(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
CID 10976452
methyl 2-[(3S)-2-oxo-1-oxaspiro[4.5]decan-3-yl]acetate
CID 11746321
Methyl (2-oxo-1-oxaspiro[4.5]dec-3-yl)acetate
CID 13758798
(5R)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
CID 102504750
2-[1-(2-Oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate
CID 20686225

Frequently Asked Questions

What is the IUPAC name of methyl 1-oxaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of methyl 1-oxaspiro[4.4]nonane-8-carboxylate (CID 54083792) is methyl 1-oxaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for methyl 1-oxaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for methyl 1-oxaspiro[4.4]nonane-8-carboxylate is COC(=O)C1CCC2(CCCO2)C1.
What is the InChIKey of methyl 1-oxaspiro[4.4]nonane-8-carboxylate?
The InChIKey is MOYZIYVNNHWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-9(11)8-3-5-10(7-8)4-2-6-13-10/h8H,2-7H2,1H3.
What are the key properties of methyl 1-oxaspiro[4.4]nonane-8-carboxylate?
methyl 1-oxaspiro[4.4]nonane-8-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 54083792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).