(4R)-1-ethoxy-4-propylcyclohexene

C11H20O — CID 163474639

IUPAC(4R)-1-ethoxy-4-propylcyclohexene
SMILESCCC[C@H]1CC=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/t10-/m0/s1
InChIKeyBZLCASRNPUZXND-JTQLQIEISA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

About (4R)-1-ethoxy-4-propylcyclohexene

(4R)-1-ethoxy-4-propylcyclohexene (PubChem CID 163474639) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-1-ethoxy-4-propylcyclohexene.

Molecular Properties

Compound Name(4R)-1-ethoxy-4-propylcyclohexene
PubChem CID163474639
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4R)-1-ethoxy-4-propylcyclohexene
SMILESCCC[C@H]1CC=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/t10-/m0/s1
InChIKeyBZLCASRNPUZXND-JTQLQIEISA-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 (4R)-1-ethoxy-4-propylcyclohexene?
The IUPAC name of (4R)-1-ethoxy-4-propylcyclohexene (CID 163474639) is (4R)-1-ethoxy-4-propylcyclohexene.
What is the SMILES notation for (4R)-1-ethoxy-4-propylcyclohexene?
The canonical SMILES for (4R)-1-ethoxy-4-propylcyclohexene is CCC[C@H]1CC=C(OCC)CC1.
What is the InChIKey of (4R)-1-ethoxy-4-propylcyclohexene?
The InChIKey is BZLCASRNPUZXND-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (4R)-1-ethoxy-4-propylcyclohexene?
(4R)-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 (4R)-1-ethoxy-4-propylcyclohexene is sourced from PubChem (CID 163474639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).