cyclohexen-1-yl 5-ethoxypentanoate

C13H22O3 — CID 134561572

IUPACcyclohexen-1-yl 5-ethoxypentanoate
SMILESCCOCCCCC(=O)OC1=CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-11-7-6-10-13(14)16-12-8-4-3-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyBWDPNBHDMLYDPZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.19
Rot. Bonds7

About cyclohexen-1-yl 5-ethoxypentanoate

cyclohexen-1-yl 5-ethoxypentanoate (PubChem CID 134561572) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclohexen-1-yl 5-ethoxypentanoate.

Molecular Properties

Compound Namecyclohexen-1-yl 5-ethoxypentanoate
PubChem CID134561572
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namecyclohexen-1-yl 5-ethoxypentanoate
SMILESCCOCCCCC(=O)OC1=CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-11-7-6-10-13(14)16-12-8-4-3-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyBWDPNBHDMLYDPZ-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl 6-propoxyhexanoate
CID 134561716
dicyclododecen-1-yl butanedioate
CID 70131670
cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate
CID 67925105
cycloheptyl 6-ethoxyhexanoate
CID 134561724
5-ethoxypentaneperoxoic acid
CID 59169108
(3-oxocyclohexen-1-yl) nonanoate
CID 91181212
[(1E)-3-methylcyclopentadecen-1-yl] dodecanoate
CID 68818540
(3-methylcyclopentadecen-1-yl) pentanoate
CID 68817888
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
1,9-diethoxynonan-5-one
CID 150666797
(1E)-1-ethoxycyclodecene
CID 164771748
cyclopenten-1-yl acetate
CID 4640893

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl 5-ethoxypentanoate?
The IUPAC name of cyclohexen-1-yl 5-ethoxypentanoate (CID 134561572) is cyclohexen-1-yl 5-ethoxypentanoate.
What is the SMILES notation for cyclohexen-1-yl 5-ethoxypentanoate?
The canonical SMILES for cyclohexen-1-yl 5-ethoxypentanoate is CCOCCCCC(=O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl 5-ethoxypentanoate?
The InChIKey is BWDPNBHDMLYDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-15-11-7-6-10-13(14)16-12-8-4-3-5-9-12/h8H,2-7,9-11H2,1H3.
What are the key properties of cyclohexen-1-yl 5-ethoxypentanoate?
cyclohexen-1-yl 5-ethoxypentanoate has a molecular weight of 226.32 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 5-ethoxypentanoate is sourced from PubChem (CID 134561572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).