[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane

C19H36O4 — CID 91000884

IUPAC[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
SMILESCC.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCC1
InChIInChI=1S/C17H30O4.C2H6/c1-6-16(3,4)15(19)20-12-14(18)21-17(5,7-2)13-10-8-9-11-13;1-2/h13H,6-12H2,1-5H3;1-2H3
InChIKeyVWBONVVNYKLAQV-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.89
Rot. Bonds7

About [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane

[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane (PubChem CID 91000884) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane.

Molecular Properties

Compound Name[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
PubChem CID91000884
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
SMILESCC.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCC1
InChIInChI=1S/C17H30O4.C2H6/c1-6-16(3,4)15(19)20-12-14(18)21-17(5,7-2)13-10-8-9-11-13;1-2/h13H,6-12H2,1-5H3;1-2H3
InChIKeyVWBONVVNYKLAQV-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylbutan-2-yl 2-acetyloxyacetate
CID 123313705
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925
2-cyclooctylbutan-2-yl acetate
CID 177097469
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 129085463
2-cyclohexylbutan-2-yl methylsulfanylformate
CID 91161671
[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate
CID 159552226
2-cyclohexylbutan-2-yl 2-iodobutanoate
CID 134565455
2-[2-(2,2-dimethylbutanoyloxy)acetyl]cyclohexane-1-carboxylic acid
CID 134463632
[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 91180041
[2-[(2-cyclopentyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 67473178
2-cycloheptylbutan-2-yl prop-2-enoate
CID 170992142

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane?
The IUPAC name of [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane (CID 91000884) is [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane.
What is the SMILES notation for [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane?
The canonical SMILES for [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane is CC.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCC1.
What is the InChIKey of [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane?
The InChIKey is VWBONVVNYKLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4.C2H6/c1-6-16(3,4)15(19)20-12-14(18)21-17(5,7-2)13-10-8-9-11-13;1-2/h13H,6-12H2,1-5H3;1-2H3.
What are the key properties of [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane?
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane has a molecular weight of 328.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane is sourced from PubChem (CID 91000884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).