(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate

C15H22O4 — CID 20739290

IUPAC(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21
InChIInChI=1S/C15H22O4/c1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10/h8-12H,4-7H2,1-3H3
InChIKeyIHMWUQRFBMGXOU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.16
Rot. Bonds3

About (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate

(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate (PubChem CID 20739290) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate
PubChem CID20739290
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21
InChIInChI=1S/C15H22O4/c1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10/h8-12H,4-7H2,1-3H3
InChIKeyIHMWUQRFBMGXOU-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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Frequently Asked Questions

What is the IUPAC name of (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate?
The IUPAC name of (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate (CID 20739290) is (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21.
What is the InChIKey of (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate?
The InChIKey is IHMWUQRFBMGXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10/h8-12H,4-7H2,1-3H3.
What are the key properties of (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate?
(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate 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 (3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 20739290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).