2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone

C11H16O2 — CID 103168064

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
SMILESO=C(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H16O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9H,1-7H2
InChIKeyHOJNRFYHWKFHEH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds3

About 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone (PubChem CID 103168064) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
PubChem CID103168064
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
SMILESO=C(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H16O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9H,1-7H2
InChIKeyHOJNRFYHWKFHEH-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone (CID 103168064) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone is O=C(CC1CCC1)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The InChIKey is HOJNRFYHWKFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9H,1-7H2.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone is sourced from PubChem (CID 103168064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).