[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

C15H26O4 — CID 90128281

IUPAC[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1CCCCC1C
InChIInChI=1S/C15H26O4/c1-5-15(3,4)14(17)18-10-13(16)19-12-9-7-6-8-11(12)2/h11-12H,5-10H2,1-4H3
InChIKeyXJWALPLQWBVBGM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.09
Rot. Bonds5

About [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (PubChem CID 90128281) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
PubChem CID90128281
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1CCCCC1C
InChIInChI=1S/C15H26O4/c1-5-15(3,4)14(17)18-10-13(16)19-12-9-7-6-8-11(12)2/h11-12H,5-10H2,1-4H3
InChIKeyXJWALPLQWBVBGM-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (CID 90128281) is [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1CCCCC1C.
What is the InChIKey of [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The InChIKey is XJWALPLQWBVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-15(3,4)14(17)18-10-13(16)19-12-9-7-6-8-11(12)2/h11-12H,5-10H2,1-4H3.
What are the key properties of [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
[2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate has a molecular weight of 270.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 90128281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).