cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone

C13H20O2 — CID 79758237

IUPACcyclohepten-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H20O2/c1-10-12(8-9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12H,2-5,7-9H2,1H3
InChIKeyMIMRFNQGQPEXHD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds2

About cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone

cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 79758237) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(2-methyloxolan-3-yl)methanone
PubChem CID79758237
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohepten-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H20O2/c1-10-12(8-9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12H,2-5,7-9H2,1H3
InChIKeyMIMRFNQGQPEXHD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone (CID 79758237) is cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is MIMRFNQGQPEXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-12(8-9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12H,2-5,7-9H2,1H3.
What are the key properties of cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone?
cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).