ethyl 8-(2-butan-2-yloxyethoxy)octanoate

C16H32O4 — CID 58764416

IUPACethyl 8-(2-butan-2-yloxyethoxy)octanoate
SMILESCCOC(=O)CCCCCCCOCCOC(C)CC
InChIInChI=1S/C16H32O4/c1-4-15(3)20-14-13-18-12-10-8-6-7-9-11-16(17)19-5-2/h15H,4-14H2,1-3H3
InChIKeyKTXXTHWERLIVJU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds14

About ethyl 8-(2-butan-2-yloxyethoxy)octanoate

ethyl 8-(2-butan-2-yloxyethoxy)octanoate (PubChem CID 58764416) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl 8-(2-butan-2-yloxyethoxy)octanoate.

Molecular Properties

Compound Nameethyl 8-(2-butan-2-yloxyethoxy)octanoate
PubChem CID58764416
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Nameethyl 8-(2-butan-2-yloxyethoxy)octanoate
SMILESCCOC(=O)CCCCCCCOCCOC(C)CC
InChIInChI=1S/C16H32O4/c1-4-15(3)20-14-13-18-12-10-8-6-7-9-11-16(17)19-5-2/h15H,4-14H2,1-3H3
InChIKeyKTXXTHWERLIVJU-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423
methyl 11-(2-butan-2-yloxyethoxy)undecanoate
CID 58764403
ethyl 6-(2-butan-2-yloxyethylperoxy)-6-oxohexanoate
CID 175115235
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
ethyl 6-(1-hydroxypropan-2-yloxy)hexanoate
CID 171722005
ethyl 16-butoxyhexadecanoate
CID 56991029
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
ethyl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121469676
ethyl 6-[1-(methylamino)propan-2-yloxy]hexanoate
CID 106939510
ethyl 3-[3-(3-butan-2-yloxy-3-oxopropoxy)propoxy]propanoate
CID 171558193
diethyl icosanedioate
CID 5058538
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-butan-2-yloxyethoxy)octanoate?
The IUPAC name of ethyl 8-(2-butan-2-yloxyethoxy)octanoate (CID 58764416) is ethyl 8-(2-butan-2-yloxyethoxy)octanoate.
What is the SMILES notation for ethyl 8-(2-butan-2-yloxyethoxy)octanoate?
The canonical SMILES for ethyl 8-(2-butan-2-yloxyethoxy)octanoate is CCOC(=O)CCCCCCCOCCOC(C)CC.
What is the InChIKey of ethyl 8-(2-butan-2-yloxyethoxy)octanoate?
The InChIKey is KTXXTHWERLIVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-4-15(3)20-14-13-18-12-10-8-6-7-9-11-16(17)19-5-2/h15H,4-14H2,1-3H3.
What are the key properties of ethyl 8-(2-butan-2-yloxyethoxy)octanoate?
ethyl 8-(2-butan-2-yloxyethoxy)octanoate has a molecular weight of 288.43 g/mol, XLogP of 3.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-butan-2-yloxyethoxy)octanoate is sourced from PubChem (CID 58764416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).