ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate

C27H54O10 — CID 118671454

IUPACethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
SMILESCCOC(=O)CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C27H54O10/c1-3-37-27(28)11-9-7-5-4-6-8-10-12-30-15-16-32-19-20-34-23-24-36-26-25-35-22-21-33-18-17-31-14-13-29-2/h3-26H2,1-2H3
InChIKeyBEWKQVJPLRXCNC-UHFFFAOYSA-N
MW538.72 g/mol
LogP3.43
Rot. Bonds32

About ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate

ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate (PubChem CID 118671454) has the molecular formula C27H54O10 and a molecular weight of 538.72 g/mol. Its IUPAC name is ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate.

Molecular Properties

Compound Nameethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
PubChem CID118671454
Molecular FormulaC27H54O10
Molecular Weight538.72 g/mol
Exact Mass538.37
IUPAC Nameethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
SMILESCCOC(=O)CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C27H54O10/c1-3-37-27(28)11-9-7-5-4-6-8-10-12-30-15-16-32-19-20-34-23-24-36-26-25-35-22-21-33-18-17-31-14-13-29-2/h3-26H2,1-2H3
InChIKeyBEWKQVJPLRXCNC-UHFFFAOYSA-N
XLogP3.43
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 5-methoxypentanoate
CID 21476247
ethyl 16-butoxyhexadecanoate
CID 56991029
ethyl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121469676
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
diethyl icosanedioate
CID 5058538
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate?
The IUPAC name of ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate (CID 118671454) is ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate.
What is the SMILES notation for ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate?
The canonical SMILES for ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate is CCOC(=O)CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate?
The InChIKey is BEWKQVJPLRXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O10/c1-3-37-27(28)11-9-7-5-4-6-8-10-12-30-15-16-32-19-20-34-23-24-36-26-25-35-22-21-33-18-17-31-14-13-29-2/h3-26H2,1-2H3.
What are the key properties of ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate?
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate has a molecular weight of 538.72 g/mol, XLogP of 3.43, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate is sourced from PubChem (CID 118671454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).