[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate

C18H28O4 — CID 66819764

IUPAC[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28O4/c1-4-18(22-16(19)10-21-17(20)11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h11-15H,4-10H2,1-3H3
InChIKeyFUDVUJGVGRNWQR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.33
Rot. Bonds5

About [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate

[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate (PubChem CID 66819764) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate
PubChem CID66819764
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28O4/c1-4-18(22-16(19)10-21-17(20)11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h11-15H,4-10H2,1-3H3
InChIKeyFUDVUJGVGRNWQR-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate (CID 66819764) is [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate is CCC1(OC(=O)COC(=O)C(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate?
The InChIKey is FUDVUJGVGRNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-4-18(22-16(19)10-21-17(20)11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h11-15H,4-10H2,1-3H3.
What are the key properties of [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate?
[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate has a molecular weight of 308.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 66819764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).