[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate

C16H28O4 — CID 20698001

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CCCC(C(=O)OCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28O4/c1-11(2)12-7-6-8-13(9-12)15(18)19-10-14(17)20-16(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyMLYCWDVCWRYQLH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.33
Rot. Bonds4

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 20698001) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
PubChem CID20698001
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CCCC(C(=O)OCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28O4/c1-11(2)12-7-6-8-13(9-12)15(18)19-10-14(17)20-16(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyMLYCWDVCWRYQLH-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
CID 142797891
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 167430835
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 114267995
bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 22023846
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]cyclohexane-1-carboxylate
CID 139789043
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;3-propan-2-ylcyclohexane-1-carboxylic acid
CID 91543007
[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
CID 67478212
trans-tert-butyl (3S,4S)-3-amino-4-hydroxycycloheptane-1-carboxylate
CID 155327795

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate (CID 20698001) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate is CC(C)C1CCCC(C(=O)OCC(=O)OC(C)(C)C)C1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is MLYCWDVCWRYQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-11(2)12-7-6-8-13(9-12)15(18)19-10-14(17)20-16(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 20698001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).