methyl 2-oxaspiro[3.4]octane-6-carboxylate

C9H14O3 — CID 165356428

IUPACmethyl 2-oxaspiro[3.4]octane-6-carboxylate
SMILESCOC(=O)C1CCC2(COC2)C1
InChIInChI=1S/C9H14O3/c1-11-8(10)7-2-3-9(4-7)5-12-6-9/h7H,2-6H2,1H3
InChIKeyODGUTMLLPYRIJG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.98
Rot. Bonds1

About methyl 2-oxaspiro[3.4]octane-6-carboxylate

methyl 2-oxaspiro[3.4]octane-6-carboxylate (PubChem CID 165356428) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-oxaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxaspiro[3.4]octane-6-carboxylate
PubChem CID165356428
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2-oxaspiro[3.4]octane-6-carboxylate
SMILESCOC(=O)C1CCC2(COC2)C1
InChIInChI=1S/C9H14O3/c1-11-8(10)7-2-3-9(4-7)5-12-6-9/h7H,2-6H2,1H3
InChIKeyODGUTMLLPYRIJG-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
CID 71244310
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
trans-methyl (1R,3S)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate;hydrochloride
CID 138991198
methyl 2-ethylspiro[2.5]octane-6-carboxylate
CID 141349397
methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate
CID 166453010
N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
CID 126844449
methyl (3S)-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 137392124
methyl 10-oxospiro[4.5]decane-3-carboxylate
CID 10536429
ethyl 2-oxaspiro[3.3]heptane-6-carboperoxoate
CID 150974203
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxaspiro[3.4]octane-6-carboxylate?
The IUPAC name of methyl 2-oxaspiro[3.4]octane-6-carboxylate (CID 165356428) is methyl 2-oxaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for methyl 2-oxaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for methyl 2-oxaspiro[3.4]octane-6-carboxylate is COC(=O)C1CCC2(COC2)C1.
What is the InChIKey of methyl 2-oxaspiro[3.4]octane-6-carboxylate?
The InChIKey is ODGUTMLLPYRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-8(10)7-2-3-9(4-7)5-12-6-9/h7H,2-6H2,1H3.
What are the key properties of methyl 2-oxaspiro[3.4]octane-6-carboxylate?
methyl 2-oxaspiro[3.4]octane-6-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 165356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).