cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone

C10H14O2 — CID 102646884

IUPACcyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC1
InChIInChI=1S/C10H14O2/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8H,1-5,7H2
InChIKeyOXAYPATXCJYHEY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds2

About cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone

cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646884) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646884
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namecyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC1
InChIInChI=1S/C10H14O2/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8H,1-5,7H2
InChIKeyOXAYPATXCJYHEY-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxycyclohex-2-en-1-one
CID 121598
Methoxy-5-methylcyclohex-2-enone
CID 129652246
2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
2-(2-Methylpropoxy)cyclohex-2-en-1-one
CID 12858355
2-Propoxycyclohex-2-en-1-one
CID 13678104
(3,3-Difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130920810
2-Butoxy-2-cyclohexen-1-one
CID 12292881
2-Cyclohexen-1-one, 2-(1-methylethoxy)-
CID 13678107
2-Methoxy-6-methylcyclohex-2-EN-1-one
CID 13678109
2-Ethoxy-5,5-dimethylcyclohex-2-en-1-one
CID 20507110
5,5-Dimethyl-2-(2-methylpropoxy)cyclohex-2-en-1-one
CID 21621652
2-Methoxy-4-methylcyclohex-2-EN-1-one
CID 45116923

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646884) is cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCC1.
What is the InChIKey of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is OXAYPATXCJYHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8H,1-5,7H2.
What are the key properties of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone?
cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 166.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).