decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate

C27H54O6 — CID 174785591

IUPACdecyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate
SMILESCCCCCCCCCCOC(=O)C(CCCCCC)CCOCCOCCOCCOC
InChIInChI=1S/C27H54O6/c1-4-6-8-10-11-12-13-15-18-33-27(28)26(16-14-9-7-5-2)17-19-30-22-23-32-25-24-31-21-20-29-3/h26H,4-25H2,1-3H3
InChIKeyOUTMVMUYVYAQQK-UHFFFAOYSA-N
MW474.72 g/mol
LogP6.34
Rot. Bonds27

About decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate

decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate (PubChem CID 174785591) has the molecular formula C27H54O6 and a molecular weight of 474.72 g/mol. Its IUPAC name is decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate.

Molecular Properties

Compound Namedecyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate
PubChem CID174785591
Molecular FormulaC27H54O6
Molecular Weight474.72 g/mol
Exact Mass474.39
IUPAC Namedecyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate
SMILESCCCCCCCCCCOC(=O)C(CCCCCC)CCOCCOCCOCCOC
InChIInChI=1S/C27H54O6/c1-4-6-8-10-11-12-13-15-18-33-27(28)26(16-14-9-7-5-2)17-19-30-22-23-32-25-24-31-21-20-29-3/h26H,4-25H2,1-3H3
InChIKeyOUTMVMUYVYAQQK-UHFFFAOYSA-N
XLogP6.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate
CID 174785612
decyl 2-octyltetradecanoate
CID 87368194
tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]hexanoate
CID 175295487
octyl 2-butyldocosanoate
CID 174740469
germane;pentyl 2-pentylheptanoate
CID 173457558
tetradecyl 2-butylhexanoate
CID 91318887

Frequently Asked Questions

What is the IUPAC name of decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate?
The IUPAC name of decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate (CID 174785591) is decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate.
What is the SMILES notation for decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate?
The canonical SMILES for decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate is CCCCCCCCCCOC(=O)C(CCCCCC)CCOCCOCCOCCOC.
What is the InChIKey of decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate?
The InChIKey is OUTMVMUYVYAQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O6/c1-4-6-8-10-11-12-13-15-18-33-27(28)26(16-14-9-7-5-2)17-19-30-22-23-32-25-24-31-21-20-29-3/h26H,4-25H2,1-3H3.
What are the key properties of decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate?
decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate has a molecular weight of 474.72 g/mol, XLogP of 6.34, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate is sourced from PubChem (CID 174785591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).