1-ethoxy-4-propylcyclohexene

C11H20O — CID 163474640

IUPAC1-ethoxy-4-propylcyclohexene
SMILESCCCC1CC=C(OCC)CC1
InChIInChI=1S/C11H20O/c1-3-5-10-6-8-11(9-7-10)12-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyBZLCASRNPUZXND-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

About 1-ethoxy-4-propylcyclohexene

1-ethoxy-4-propylcyclohexene (PubChem CID 163474640) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethoxy-4-propylcyclohexene.

Molecular Properties

Compound Name1-ethoxy-4-propylcyclohexene
PubChem CID163474640
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-ethoxy-4-propylcyclohexene
SMILESCCCC1CC=C(OCC)CC1
InChIInChI=1S/C11H20O/c1-3-5-10-6-8-11(9-7-10)12-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyBZLCASRNPUZXND-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-propylcyclohexene?
The IUPAC name of 1-ethoxy-4-propylcyclohexene (CID 163474640) is 1-ethoxy-4-propylcyclohexene.
What is the SMILES notation for 1-ethoxy-4-propylcyclohexene?
The canonical SMILES for 1-ethoxy-4-propylcyclohexene is CCCC1CC=C(OCC)CC1.
What is the InChIKey of 1-ethoxy-4-propylcyclohexene?
The InChIKey is BZLCASRNPUZXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-10-6-8-11(9-7-10)12-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-ethoxy-4-propylcyclohexene?
1-ethoxy-4-propylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-propylcyclohexene is sourced from PubChem (CID 163474640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).