octyl 5-ethoxypentanoate

C15H30O3 — CID 134561600

IUPACoctyl 5-ethoxypentanoate
SMILESCCCCCCCCOC(=O)CCCCOCC
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-10-14-18-15(16)12-9-11-13-17-4-2/h3-14H2,1-2H3
InChIKeyACXJYNCWEKBDNG-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.10
Rot. Bonds13

About octyl 5-ethoxypentanoate

octyl 5-ethoxypentanoate (PubChem CID 134561600) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is octyl 5-ethoxypentanoate.

Molecular Properties

Compound Nameoctyl 5-ethoxypentanoate
PubChem CID134561600
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Nameoctyl 5-ethoxypentanoate
SMILESCCCCCCCCOC(=O)CCCCOCC
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-10-14-18-15(16)12-9-11-13-17-4-2/h3-14H2,1-2H3
InChIKeyACXJYNCWEKBDNG-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.10
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

octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 6-ethoxyhexanoate
CID 134561594
octyl 4-ethoxybutanoate
CID 134561601
10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
CID 91739044
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
CID 121470119
5-O-(2-ethoxyethyl) 1-O-heptyl pentanedioate
CID 91706629
1-O-hexyl 10-O-octyl decanedioate
CID 91729377
decyl tridecanoate
CID 54021367
tridecyl heptacosanoate
CID 168953402
hentriacontyl icosanoate
CID 53492809
tridecyl nonadecanoate
CID 161042448
didodecyl heptanedioate
CID 91742004

Frequently Asked Questions

What is the IUPAC name of octyl 5-ethoxypentanoate?
The IUPAC name of octyl 5-ethoxypentanoate (CID 134561600) is octyl 5-ethoxypentanoate.
What is the SMILES notation for octyl 5-ethoxypentanoate?
The canonical SMILES for octyl 5-ethoxypentanoate is CCCCCCCCOC(=O)CCCCOCC.
What is the InChIKey of octyl 5-ethoxypentanoate?
The InChIKey is ACXJYNCWEKBDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-5-6-7-8-10-14-18-15(16)12-9-11-13-17-4-2/h3-14H2,1-2H3.
What are the key properties of octyl 5-ethoxypentanoate?
octyl 5-ethoxypentanoate has a molecular weight of 258.40 g/mol, XLogP of 4.10, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 5-ethoxypentanoate is sourced from PubChem (CID 134561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).