methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate

C11H16O3 — CID 166453010

IUPACmethyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1CC2(C1)CC(C1CO1)C2
InChIInChI=1S/C11H16O3/c1-13-10(12)8-4-11(5-8)2-7(3-11)9-6-14-9/h7-9H,2-6H2,1H3
InChIKeyFYGGLVIDSGEOJC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds2

About methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate

methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate (PubChem CID 166453010) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate
PubChem CID166453010
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1CC2(C1)CC(C1CO1)C2
InChIInChI=1S/C11H16O3/c1-13-10(12)8-4-11(5-8)2-7(3-11)9-6-14-9/h7-9H,2-6H2,1H3
InChIKeyFYGGLVIDSGEOJC-UHFFFAOYSA-N
XLogP1.36
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
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

methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl 6-(2,6-dichloropyridine-4-carbonyl)spiro[3.3]heptane-2-carboxylate
CID 154727766
methyl 2-aminospiro[2.3]hexane-5-carboxylate
CID 84716589
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
CID 129322205
methyl 9-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 10466322
(2S,4R)-4-methoxycarbonyloxolane-2-carboxylic acid
CID 99996303
methyl 5-hydroxy-1-oxaspiro[3.4]octane-7-carboxylate
CID 164600108

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate?
The IUPAC name of methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate (CID 166453010) is methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate?
The canonical SMILES for methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate is COC(=O)C1CC2(C1)CC(C1CO1)C2.
What is the InChIKey of methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate?
The InChIKey is FYGGLVIDSGEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-10(12)8-4-11(5-8)2-7(3-11)9-6-14-9/h7-9H,2-6H2,1H3.
What are the key properties of methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate?
methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxiran-2-yl)spiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 166453010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).