3-(4-methoxycyclohexyl)cyclohex-2-en-1-one

C13H20O2 — CID 23041441

IUPAC3-(4-methoxycyclohexyl)cyclohex-2-en-1-one
SMILESCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C13H20O2/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h9-10,13H,2-8H2,1H3
InChIKeyJZMAGMWCAYRUOM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one

3-(4-methoxycyclohexyl)cyclohex-2-en-1-one (PubChem CID 23041441) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)cyclohex-2-en-1-one
PubChem CID23041441
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(4-methoxycyclohexyl)cyclohex-2-en-1-one
SMILESCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C13H20O2/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h9-10,13H,2-8H2,1H3
InChIKeyJZMAGMWCAYRUOM-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 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one (CID 23041441) is 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one is COC1CCC(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one?
The InChIKey is JZMAGMWCAYRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one?
3-(4-methoxycyclohexyl)cyclohex-2-en-1-one 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 3-(4-methoxycyclohexyl)cyclohex-2-en-1-one is sourced from PubChem (CID 23041441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).