1-[2-(oxan-3-yl)cyclopropyl]ethanone

C10H16O2 — CID 63737870

IUPAC1-[2-(oxan-3-yl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1C1CCCOC1
InChIInChI=1S/C10H16O2/c1-7(11)9-5-10(9)8-3-2-4-12-6-8/h8-10H,2-6H2,1H3
InChIKeyOOVCMIODUNBLJR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds2

About 1-[2-(oxan-3-yl)cyclopropyl]ethanone

1-[2-(oxan-3-yl)cyclopropyl]ethanone (PubChem CID 63737870) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[2-(oxan-3-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(oxan-3-yl)cyclopropyl]ethanone
PubChem CID63737870
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[2-(oxan-3-yl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1C1CCCOC1
InChIInChI=1S/C10H16O2/c1-7(11)9-5-10(9)8-3-2-4-12-6-8/h8-10H,2-6H2,1H3
InChIKeyOOVCMIODUNBLJR-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-3-yl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(oxan-3-yl)cyclopropyl]ethanone (CID 63737870) is 1-[2-(oxan-3-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(oxan-3-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(oxan-3-yl)cyclopropyl]ethanone is CC(=O)C1CC1C1CCCOC1.
What is the InChIKey of 1-[2-(oxan-3-yl)cyclopropyl]ethanone?
The InChIKey is OOVCMIODUNBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)9-5-10(9)8-3-2-4-12-6-8/h8-10H,2-6H2,1H3.
What are the key properties of 1-[2-(oxan-3-yl)cyclopropyl]ethanone?
1-[2-(oxan-3-yl)cyclopropyl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-3-yl)cyclopropyl]ethanone is sourced from PubChem (CID 63737870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).