[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate

C18H32O4 — CID 123365518

IUPAC[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate
SMILESCC(C(=O)OCC(=O)OC(C)(C)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H32O4/c1-13(17(2,3)4)16(20)21-12-15(19)22-18(5,6)14-10-8-7-9-11-14/h13-14H,7-12H2,1-6H3
InChIKeyLYCYFVYMMLVSEY-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.11
Rot. Bonds5

About [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate

[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate (PubChem CID 123365518) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate
PubChem CID123365518
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate
SMILESCC(C(=O)OCC(=O)OC(C)(C)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H32O4/c1-13(17(2,3)4)16(20)21-12-15(19)22-18(5,6)14-10-8-7-9-11-14/h13-14H,7-12H2,1-6H3
InChIKeyLYCYFVYMMLVSEY-UHFFFAOYSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91322686
[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 130305136
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794
2-cyclohexylbutan-2-yl 2-acetyloxyacetate
CID 123313705
2-[4-[2-(2-sulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-sulfanylacetate
CID 58944345
2-cyclohexylpropan-2-yl 4-but-2-en-2-yloxybutanoate
CID 123394574
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
CID 59409223
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172844405
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate?
The IUPAC name of [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate (CID 123365518) is [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate.
What is the SMILES notation for [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate?
The canonical SMILES for [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate is CC(C(=O)OCC(=O)OC(C)(C)C1CCCCC1)C(C)(C)C.
What is the InChIKey of [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate?
The InChIKey is LYCYFVYMMLVSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-13(17(2,3)4)16(20)21-12-15(19)22-18(5,6)14-10-8-7-9-11-14/h13-14H,7-12H2,1-6H3.
What are the key properties of [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate?
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate has a molecular weight of 312.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,3,3-trimethylbutanoate is sourced from PubChem (CID 123365518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).