2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone

C12H16O2 — CID 45098700

IUPAC2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCO2)C1
InChIInChI=1S/C12H16O2/c1-12(2)6-5-9(8-12)11(13)10-4-3-7-14-10/h4-5H,3,6-8H2,1-2H3
InChIKeySDJAXDCWNVOXGA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone

2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone (PubChem CID 45098700) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone
PubChem CID45098700
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCO2)C1
InChIInChI=1S/C12H16O2/c1-12(2)6-5-9(8-12)11(13)10-4-3-7-14-10/h4-5H,3,6-8H2,1-2H3
InChIKeySDJAXDCWNVOXGA-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone (CID 45098700) is 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone is CC1(C)CC=C(C(=O)C2=CCCO2)C1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The InChIKey is SDJAXDCWNVOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)6-5-9(8-12)11(13)10-4-3-7-14-10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(4,4-dimethylcyclopenten-1-yl)methanone is sourced from PubChem (CID 45098700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).