[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate

C16H22O3 — CID 23885317

IUPAC[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C16H22O3/c17-14(9-19-15(18)13-1-2-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2
InChIKeyRZZMQUSHNJVCLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds4

About [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate

[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 23885317) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID23885317
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C16H22O3/c17-14(9-19-15(18)13-1-2-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2
InChIKeyRZZMQUSHNJVCLW-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate (CID 23885317) is [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate is O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is RZZMQUSHNJVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-14(9-19-15(18)13-1-2-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2.
What are the key properties of [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate?
[2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 23885317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).