cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone

C15H22O2 — CID 151389961

IUPACcyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C(C)=CC=C1C
InChIInChI=1S/C15H22O2/c1-11-9-10-12(2)15(11,17-3)14(16)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyOUFSYWQYEPJGFH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.43
Rot. Bonds3

About cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone

cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone (PubChem CID 151389961) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone
PubChem CID151389961
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namecyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C(C)=CC=C1C
InChIInChI=1S/C15H22O2/c1-11-9-10-12(2)15(11,17-3)14(16)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyOUFSYWQYEPJGFH-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone (CID 151389961) is cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone is COC1(C(=O)C2CCCCC2)C(C)=CC=C1C.
What is the InChIKey of cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone?
The InChIKey is OUFSYWQYEPJGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-9-10-12(2)15(11,17-3)14(16)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone?
cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone has a molecular weight of 234.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)methanone is sourced from PubChem (CID 151389961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).