[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

C17H28O4 — CID 58887203

IUPAC[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1(C2CC2)CCCCC1
InChIInChI=1S/C17H28O4/c1-4-16(2,3)15(19)20-12-14(18)21-17(13-8-9-13)10-6-5-7-11-17/h13H,4-12H2,1-3H3
InChIKeyOFQZPSGVQHCDLA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.62
Rot. Bonds6

About [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (PubChem CID 58887203) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
PubChem CID58887203
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1(C2CC2)CCCCC1
InChIInChI=1S/C17H28O4/c1-4-16(2,3)15(19)20-12-14(18)21-17(13-8-9-13)10-6-5-7-11-17/h13H,4-12H2,1-3H3
InChIKeyOFQZPSGVQHCDLA-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (CID 58887203) is [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1(C2CC2)CCCCC1.
What is the InChIKey of [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The InChIKey is OFQZPSGVQHCDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-4-16(2,3)15(19)20-12-14(18)21-17(13-8-9-13)10-6-5-7-11-17/h13H,4-12H2,1-3H3.
What are the key properties of [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
[2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate has a molecular weight of 296.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 58887203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).