cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C13H20O2 — CID 65154589

IUPACcyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=CCCC2)C1C
InChIInChI=1S/C13H20O2/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyPMAIFYNQIJOLJH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.73
Rot. Bonds2

About cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone

cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65154589) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65154589
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=CCCC2)C1C
InChIInChI=1S/C13H20O2/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyPMAIFYNQIJOLJH-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65154589) is cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)C2=CCCC2)C1C.
What is the InChIKey of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is PMAIFYNQIJOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12H,4-5,7H2,1-3H3.
What are the key properties of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).