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

C12H18O2 — CID 79758049

IUPACcyclohexen-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyDKXPGVDWDCCROF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

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

cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 79758049) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-methyloxolan-3-yl)methanone
PubChem CID79758049
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohexen-1-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyDKXPGVDWDCCROF-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone (CID 79758049) is cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is DKXPGVDWDCCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone?
cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).