methyl 2-oxaspiro[3.3]heptane-6-carboxylate

C8H12O3 — CID 135392775

IUPACmethyl 2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCOC(=O)C1CC2(COC2)C1
InChIInChI=1S/C8H12O3/c1-10-7(9)6-2-8(3-6)4-11-5-8/h6H,2-5H2,1H3
InChIKeyIXKUJRAMRIOFGQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.59
Rot. Bonds1

About methyl 2-oxaspiro[3.3]heptane-6-carboxylate

methyl 2-oxaspiro[3.3]heptane-6-carboxylate (PubChem CID 135392775) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-oxaspiro[3.3]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxaspiro[3.3]heptane-6-carboxylate
PubChem CID135392775
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCOC(=O)C1CC2(COC2)C1
InChIInChI=1S/C8H12O3/c1-10-7(9)6-2-8(3-6)4-11-5-8/h6H,2-5H2,1H3
InChIKeyIXKUJRAMRIOFGQ-UHFFFAOYSA-N
XLogP0.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
ethyl 2-oxaspiro[3.3]heptane-6-carboperoxoate
CID 150974203
N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
CID 126844449
methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate
CID 166453010
methyl 2-aminospiro[2.3]hexane-5-carboxylate
CID 84716589
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
trimethyl 1,3-diazinane-1,3,5-tricarboxylate
CID 6483784
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 6-(2,6-dichloropyridine-4-carbonyl)spiro[3.3]heptane-2-carboxylate
CID 154727766

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxaspiro[3.3]heptane-6-carboxylate?
The IUPAC name of methyl 2-oxaspiro[3.3]heptane-6-carboxylate (CID 135392775) is methyl 2-oxaspiro[3.3]heptane-6-carboxylate.
What is the SMILES notation for methyl 2-oxaspiro[3.3]heptane-6-carboxylate?
The canonical SMILES for methyl 2-oxaspiro[3.3]heptane-6-carboxylate is COC(=O)C1CC2(COC2)C1.
What is the InChIKey of methyl 2-oxaspiro[3.3]heptane-6-carboxylate?
The InChIKey is IXKUJRAMRIOFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-7(9)6-2-8(3-6)4-11-5-8/h6H,2-5H2,1H3.
What are the key properties of methyl 2-oxaspiro[3.3]heptane-6-carboxylate?
methyl 2-oxaspiro[3.3]heptane-6-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxaspiro[3.3]heptane-6-carboxylate is sourced from PubChem (CID 135392775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).