ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate

C27H54O9 — CID 58764423

IUPACethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
SMILESCCOC(=O)CCCCCCCCOCCOCCOCCOCCOCCOCCOC(C)CC
InChIInChI=1S/C27H54O9/c1-4-26(3)36-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-11-9-7-6-8-10-12-27(28)35-5-2/h26H,4-25H2,1-3H3
InChIKeyDVXKJNNJFNWESN-UHFFFAOYSA-N
MW522.72 g/mol
LogP4.19
Rot. Bonds30

About ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate

ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate (PubChem CID 58764423) has the molecular formula C27H54O9 and a molecular weight of 522.72 g/mol. Its IUPAC name is ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate.

Molecular Properties

Compound Nameethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
PubChem CID58764423
Molecular FormulaC27H54O9
Molecular Weight522.72 g/mol
Exact Mass522.38
IUPAC Nameethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
SMILESCCOC(=O)CCCCCCCCOCCOCCOCCOCCOCCOCCOC(C)CC
InChIInChI=1S/C27H54O9/c1-4-26(3)36-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-11-9-7-6-8-10-12-27(28)35-5-2/h26H,4-25H2,1-3H3
InChIKeyDVXKJNNJFNWESN-UHFFFAOYSA-N
XLogP4.19
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate with MolForge

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Related Compounds

ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
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 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate?
The IUPAC name of ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate (CID 58764423) is ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate.
What is the SMILES notation for ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate?
The canonical SMILES for ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate is CCOC(=O)CCCCCCCCOCCOCCOCCOCCOCCOCCOC(C)CC.
What is the InChIKey of ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate?
The InChIKey is DVXKJNNJFNWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O9/c1-4-26(3)36-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-11-9-7-6-8-10-12-27(28)35-5-2/h26H,4-25H2,1-3H3.
What are the key properties of ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate?
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate has a molecular weight of 522.72 g/mol, XLogP of 4.19, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate is sourced from PubChem (CID 58764423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).