methyl 1-oxaspiro[2.3]hexane-2-carboxylate

C7H10O3 — CID 81251349

IUPACmethyl 1-oxaspiro[2.3]hexane-2-carboxylate
SMILESCOC(=O)C1OC12CCC2
InChIInChI=1S/C7H10O3/c1-9-6(8)5-7(10-5)3-2-4-7/h5H,2-4H2,1H3
InChIKeyQVYKKIYJJABDNW-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds1

About methyl 1-oxaspiro[2.3]hexane-2-carboxylate

methyl 1-oxaspiro[2.3]hexane-2-carboxylate (PubChem CID 81251349) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 1-oxaspiro[2.3]hexane-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxaspiro[2.3]hexane-2-carboxylate
PubChem CID81251349
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 1-oxaspiro[2.3]hexane-2-carboxylate
SMILESCOC(=O)C1OC12CCC2
InChIInChI=1S/C7H10O3/c1-9-6(8)5-7(10-5)3-2-4-7/h5H,2-4H2,1H3
InChIKeyQVYKKIYJJABDNW-UHFFFAOYSA-N
XLogP0.48
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 24973135
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
methyl 5-phenyl-1-oxaspiro[2.3]hexane-2-carboxylate
CID 165444368
ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 10856446
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 3-[2-(dimethylamino)ethyl]-3-methyloxirane-2-carboxylate
CID 165447672
methyl 4-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 165448019
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
CID 139120592
methyl 5-hydroxy-1-oxaspiro[3.4]octane-7-carboxylate
CID 164600108
dimethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 5081715
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl 1-oxaspiro[2.3]hexane-2-carboxylate?
The IUPAC name of methyl 1-oxaspiro[2.3]hexane-2-carboxylate (CID 81251349) is methyl 1-oxaspiro[2.3]hexane-2-carboxylate.
What is the SMILES notation for methyl 1-oxaspiro[2.3]hexane-2-carboxylate?
The canonical SMILES for methyl 1-oxaspiro[2.3]hexane-2-carboxylate is COC(=O)C1OC12CCC2.
What is the InChIKey of methyl 1-oxaspiro[2.3]hexane-2-carboxylate?
The InChIKey is QVYKKIYJJABDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-6(8)5-7(10-5)3-2-4-7/h5H,2-4H2,1H3.
What are the key properties of methyl 1-oxaspiro[2.3]hexane-2-carboxylate?
methyl 1-oxaspiro[2.3]hexane-2-carboxylate has a molecular weight of 142.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxaspiro[2.3]hexane-2-carboxylate is sourced from PubChem (CID 81251349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).