ethyl 5-methoxypentanoate

C8H16O3 — CID 21476247

IUPACethyl 5-methoxypentanoate
SMILESCCOC(=O)CCCCOC
InChIInChI=1S/C8H16O3/c1-3-11-8(9)6-4-5-7-10-2/h3-7H2,1-2H3
InChIKeyKFHFBIHCYXVLKB-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.37
Rot. Bonds6

About ethyl 5-methoxypentanoate

ethyl 5-methoxypentanoate (PubChem CID 21476247) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl 5-methoxypentanoate.

Molecular Properties

Compound Nameethyl 5-methoxypentanoate
PubChem CID21476247
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl 5-methoxypentanoate
SMILESCCOC(=O)CCCCOC
InChIInChI=1S/C8H16O3/c1-3-11-8(9)6-4-5-7-10-2/h3-7H2,1-2H3
InChIKeyKFHFBIHCYXVLKB-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.37
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

ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
2-methoxyethyl 5-methoxypentanoate
CID 58454735
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
butyl 8-methoxyoctanoate
CID 155647547
heptyl 6-methoxyhexanoate
CID 134561585
ethyl 6-aminooxyhexanoate
CID 10559164
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
sodium;diethyl decanedioate;hydride
CID 173076435
6-O-butyl 1-O-ethyl hexanedioate
CID 22057026
ethyl 5-(2-methylpropanoyloxy)pentanoate
CID 156656720

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxypentanoate?
The IUPAC name of ethyl 5-methoxypentanoate (CID 21476247) is ethyl 5-methoxypentanoate.
What is the SMILES notation for ethyl 5-methoxypentanoate?
The canonical SMILES for ethyl 5-methoxypentanoate is CCOC(=O)CCCCOC.
What is the InChIKey of ethyl 5-methoxypentanoate?
The InChIKey is KFHFBIHCYXVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-11-8(9)6-4-5-7-10-2/h3-7H2,1-2H3.
What are the key properties of ethyl 5-methoxypentanoate?
ethyl 5-methoxypentanoate has a molecular weight of 160.21 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxypentanoate is sourced from PubChem (CID 21476247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).