(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C15H22O4 — CID 20736081

IUPAC(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3CCC(=O)O3)C(C2)C1C
InChIInChI=1S/C15H22O4/c1-8-9(2)12-5-10(8)6-13(12)15(17)18-7-11-3-4-14(16)19-11/h8-13H,3-7H2,1-2H3
InChIKeyRIFVZVBUQLEVND-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.16
Rot. Bonds3

About (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20736081) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20736081
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3CCC(=O)O3)C(C2)C1C
InChIInChI=1S/C15H22O4/c1-8-9(2)12-5-10(8)6-13(12)15(17)18-7-11-3-4-14(16)19-11/h8-13H,3-7H2,1-2H3
InChIKeyRIFVZVBUQLEVND-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoropropan-2-yl 2-methyl-3-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]propanoate
CID 89667507
Methane;1,1,1-trifluoropropan-2-yl 2-methyl-3-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]propanoate
CID 161645521
(1S,2S,5S,6R,7R)-5-ethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 101370439
(1S,2S,5R,6R,7R)-5-ethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 101370440
5-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-2-one
CID 86011225
Dipropan-2-yl 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 14563509
5,6-Dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 18336187
2-(2-Methoxyethoxy)ethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336211
3-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
CID 18336225
(2-Oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336291
(5-Oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336314
Propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate
CID 20525095

Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 20736081) is (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OCC3CCC(=O)O3)C(C2)C1C.
What is the InChIKey of (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is RIFVZVBUQLEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8-9(2)12-5-10(8)6-13(12)15(17)18-7-11-3-4-14(16)19-11/h8-13H,3-7H2,1-2H3.
What are the key properties of (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20736081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).