1-(3-acetyl-1-adamantyl)ethanone

C14H20O2 — CID 2843255

IUPAC1-(3-acetyl-1-adamantyl)ethanone
SMILESCC(=O)C12CC3CC(C1)CC(C(C)=O)(C3)C2
InChIInChI=1S/C14H20O2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h11-12H,3-8H2,1-2H3
InChIKeyGPMDBHIWOLWLNW-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-acetyl-1-adamantyl)ethanone

1-(3-acetyl-1-adamantyl)ethanone (PubChem CID 2843255) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3-acetyl-1-adamantyl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-1-adamantyl)ethanone
PubChem CID2843255
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3-acetyl-1-adamantyl)ethanone
SMILESCC(=O)C12CC3CC(C1)CC(C(C)=O)(C3)C2
InChIInChI=1S/C14H20O2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h11-12H,3-8H2,1-2H3
InChIKeyGPMDBHIWOLWLNW-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1-adamantyl)ethanone?
The IUPAC name of 1-(3-acetyl-1-adamantyl)ethanone (CID 2843255) is 1-(3-acetyl-1-adamantyl)ethanone.
What is the SMILES notation for 1-(3-acetyl-1-adamantyl)ethanone?
The canonical SMILES for 1-(3-acetyl-1-adamantyl)ethanone is CC(=O)C12CC3CC(C1)CC(C(C)=O)(C3)C2.
What is the InChIKey of 1-(3-acetyl-1-adamantyl)ethanone?
The InChIKey is GPMDBHIWOLWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h11-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-acetyl-1-adamantyl)ethanone?
1-(3-acetyl-1-adamantyl)ethanone has a molecular weight of 220.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1-adamantyl)ethanone is sourced from PubChem (CID 2843255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).