2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate

C16H28O4 — CID 20767497

IUPAC2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1CCC(C(C)(C)OC(C)=O)CC1
InChIInChI=1S/C16H28O4/c1-11(17)19-15(3,4)13-7-9-14(10-8-13)16(5,6)20-12(2)18/h13-14H,7-10H2,1-6H3
InChIKeyMMIXRJJUTGDRQA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate

2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate (PubChem CID 20767497) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate.

Molecular Properties

Compound Name2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
PubChem CID20767497
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1CCC(C(C)(C)OC(C)=O)CC1
InChIInChI=1S/C16H28O4/c1-11(17)19-15(3,4)13-7-9-14(10-8-13)16(5,6)20-12(2)18/h13-14H,7-10H2,1-6H3
InChIKeyMMIXRJJUTGDRQA-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-sulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-sulfanylacetate
CID 58944345
2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate
CID 58944231
2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
CID 143746498
tert-butyl acetate;cyclopropanamine
CID 174763638
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
CID 58291384
(E)-4-[2-(4-tert-butylcyclohexyl)propan-2-yloxy]-4-oxobut-2-enoic acid
CID 172565501
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate?
The IUPAC name of 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate (CID 20767497) is 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate.
What is the SMILES notation for 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate?
The canonical SMILES for 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate is CC(=O)OC(C)(C)C1CCC(C(C)(C)OC(C)=O)CC1.
What is the InChIKey of 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate?
The InChIKey is MMIXRJJUTGDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-11(17)19-15(3,4)13-7-9-14(10-8-13)16(5,6)20-12(2)18/h13-14H,7-10H2,1-6H3.
What are the key properties of 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate?
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate has a molecular weight of 284.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate is sourced from PubChem (CID 20767497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).