(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate

C15H26O4 — CID 558072

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H26O4/c1-9(2)13-7-6-10(3)8-14(13)19-15(17)11(4)18-12(5)16/h9-11,13-14H,6-8H2,1-5H3
InChIKeyUAEBZUQVVGVJIQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.94
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate

(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate (PubChem CID 558072) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate
PubChem CID558072
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H26O4/c1-9(2)13-7-6-10(3)8-14(13)19-15(17)11(4)18-12(5)16/h9-11,13-14H,6-8H2,1-5H3
InChIKeyUAEBZUQVVGVJIQ-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate (CID 558072) is (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate is CC(=O)OC(C)C(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate?
The InChIKey is UAEBZUQVVGVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-9(2)13-7-6-10(3)8-14(13)19-15(17)11(4)18-12(5)16/h9-11,13-14H,6-8H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate has a molecular weight of 270.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-acetyloxypropanoate is sourced from PubChem (CID 558072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).