oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate

C15H22O5 — CID 23910166

IUPACoxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
SMILESCC1CC2(C)CC(C(=O)O2)C1C(=O)OCC1CCCO1
InChIInChI=1S/C15H22O5/c1-9-6-15(2)7-11(13(16)20-15)12(9)14(17)19-8-10-4-3-5-18-10/h9-12H,3-8H2,1-2H3
InChIKeyJIAFMXROXFYHJT-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.69
Rot. Bonds3

About oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate

oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 23910166) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
PubChem CID23910166
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameoxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
SMILESCC1CC2(C)CC(C(=O)O2)C1C(=O)OCC1CCCO1
InChIInChI=1S/C15H22O5/c1-9-6-15(2)7-11(13(16)20-15)12(9)14(17)19-8-10-4-3-5-18-10/h9-12H,3-8H2,1-2H3
InChIKeyJIAFMXROXFYHJT-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate
CID 107436952
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579475
O-(oxolan-2-ylmethyl) ethanethioate
CID 91101390
oxolan-2-ylmethyl 7,7-dimethyl-2-methylidene-4-(2-methylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4073608

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate (CID 23910166) is oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate is CC1CC2(C)CC(C(=O)O2)C1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is JIAFMXROXFYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9-6-15(2)7-11(13(16)20-15)12(9)14(17)19-8-10-4-3-5-18-10/h9-12H,3-8H2,1-2H3.
What are the key properties of oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 23910166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).