(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate

C15H22O5 — CID 4135980

IUPAC(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC12CCC(O1)C1(C)C(=O)OCC21
InChIInChI=1S/C15H22O5/c1-13(2,3)11(16)19-8-15-6-5-10(20-15)14(4)9(15)7-18-12(14)17/h9-10H,5-8H2,1-4H3
InChIKeyFXJNVIAMPIHZFN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.69
Rot. Bonds2

About (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate

(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 4135980) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID4135980
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC12CCC(O1)C1(C)C(=O)OCC21
InChIInChI=1S/C15H22O5/c1-13(2,3)11(16)19-8-15-6-5-10(20-15)14(4)9(15)7-18-12(14)17/h9-10H,5-8H2,1-4H3
InChIKeyFXJNVIAMPIHZFN-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate (CID 4135980) is (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC12CCC(O1)C1(C)C(=O)OCC21.
What is the InChIKey of (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is FXJNVIAMPIHZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-13(2,3)11(16)19-8-15-6-5-10(20-15)14(4)9(15)7-18-12(14)17/h9-10H,5-8H2,1-4H3.
What are the key properties of (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate?
(6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 4135980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).