cyclohexyl 5-ethenoxypentanoate

C13H22O3 — CID 57037035

IUPACcyclohexyl 5-ethenoxypentanoate
SMILESC=COCCCCC(=O)OC1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-11-7-6-10-13(14)16-12-8-4-3-5-9-12/h2,12H,1,3-11H2
InChIKeyAYUZTAXFBCLZIU-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.19
Rot. Bonds7

About cyclohexyl 5-ethenoxypentanoate

cyclohexyl 5-ethenoxypentanoate (PubChem CID 57037035) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is cyclohexyl 5-ethenoxypentanoate.

Molecular Properties

Compound Namecyclohexyl 5-ethenoxypentanoate
PubChem CID57037035
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namecyclohexyl 5-ethenoxypentanoate
SMILESC=COCCCCC(=O)OC1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-15-11-7-6-10-13(14)16-12-8-4-3-5-9-12/h2,12H,1,3-11H2
InChIKeyAYUZTAXFBCLZIU-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl pentanedioate
CID 15593941
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclooctyl 7-aminoheptanoate
CID 21259475
cyclopentyl 6-bromohexanoate
CID 550489
cyclohexyl 6-cyclohexyloxy-6-sulfanylidenehexanoate
CID 155253391
cyclopentyl 4-aminooxybutanoate
CID 145423732
cyclohexyl 8-cyanooctanoate
CID 154185213
4-ethenoxybutan-1-ol;ethenoxycyclohexane
CID 70466375
6-O-cyclohexyl 1-O-(7-methyloctyl) hexanedioate
CID 140963269

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-ethenoxypentanoate?
The IUPAC name of cyclohexyl 5-ethenoxypentanoate (CID 57037035) is cyclohexyl 5-ethenoxypentanoate.
What is the SMILES notation for cyclohexyl 5-ethenoxypentanoate?
The canonical SMILES for cyclohexyl 5-ethenoxypentanoate is C=COCCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-ethenoxypentanoate?
The InChIKey is AYUZTAXFBCLZIU-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/h2,12H,1,3-11H2.
What are the key properties of cyclohexyl 5-ethenoxypentanoate?
cyclohexyl 5-ethenoxypentanoate 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 cyclohexyl 5-ethenoxypentanoate is sourced from PubChem (CID 57037035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).