3-ethoxy-6-propylcyclohex-2-en-1-one

C11H18O2 — CID 10352328

IUPAC3-ethoxy-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC(OCC)=CC1=O
InChIInChI=1S/C11H18O2/c1-3-5-9-6-7-10(13-4-2)8-11(9)12/h8-9H,3-7H2,1-2H3
InChIKeyHYMNYJDADNTSIS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About 3-ethoxy-6-propylcyclohex-2-en-1-one

3-ethoxy-6-propylcyclohex-2-en-1-one (PubChem CID 10352328) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-ethoxy-6-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-6-propylcyclohex-2-en-1-one
PubChem CID10352328
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-ethoxy-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC(OCC)=CC1=O
InChIInChI=1S/C11H18O2/c1-3-5-9-6-7-10(13-4-2)8-11(9)12/h8-9H,3-7H2,1-2H3
InChIKeyHYMNYJDADNTSIS-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-propylcyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-6-propylcyclohex-2-en-1-one (CID 10352328) is 3-ethoxy-6-propylcyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-6-propylcyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-6-propylcyclohex-2-en-1-one is CCCC1CCC(OCC)=CC1=O.
What is the InChIKey of 3-ethoxy-6-propylcyclohex-2-en-1-one?
The InChIKey is HYMNYJDADNTSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-9-6-7-10(13-4-2)8-11(9)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-6-propylcyclohex-2-en-1-one?
3-ethoxy-6-propylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-propylcyclohex-2-en-1-one is sourced from PubChem (CID 10352328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).