(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate

C15H26O4 — CID 68576673

IUPAC(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate
SMILESCCOC(=O)COC(=O)C(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O4/c1-5-18-13(16)10-19-14(17)11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
InChIKeySFDDJGIMHONNHU-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.95
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate

(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate (PubChem CID 68576673) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate
PubChem CID68576673
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate
SMILESCCOC(=O)COC(=O)C(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O4/c1-5-18-13(16)10-19-14(17)11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
InChIKeySFDDJGIMHONNHU-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate (CID 68576673) is (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate is CCOC(=O)COC(=O)C(C)C1CCCC(C)(C)C1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate?
The InChIKey is SFDDJGIMHONNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-18-13(16)10-19-14(17)11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate?
(2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate has a molecular weight of 270.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(3,3-dimethylcyclohexyl)propanoate is sourced from PubChem (CID 68576673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).