octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate

C23H46O6 — CID 174785612

IUPACoctyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate
SMILESCCCCCCCCOC(=O)C(CCCC)CCOCCOCCOCCOC
InChIInChI=1S/C23H46O6/c1-4-6-8-9-10-11-14-29-23(24)22(12-7-5-2)13-15-26-18-19-28-21-20-27-17-16-25-3/h22H,4-21H2,1-3H3
InChIKeyXJFOGIGBDDYRBF-UHFFFAOYSA-N
MW418.62 g/mol
LogP4.78
Rot. Bonds23

About octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate

octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate (PubChem CID 174785612) has the molecular formula C23H46O6 and a molecular weight of 418.62 g/mol. Its IUPAC name is octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate.

Molecular Properties

Compound Nameoctyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate
PubChem CID174785612
Molecular FormulaC23H46O6
Molecular Weight418.62 g/mol
Exact Mass418.33
IUPAC Nameoctyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate
SMILESCCCCCCCCOC(=O)C(CCCC)CCOCCOCCOCCOC
InChIInChI=1S/C23H46O6/c1-4-6-8-9-10-11-14-29-23(24)22(12-7-5-2)13-15-26-18-19-28-21-20-27-17-16-25-3/h22H,4-21H2,1-3H3
InChIKeyXJFOGIGBDDYRBF-UHFFFAOYSA-N
XLogP4.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.62
LogP ≤ 54.78
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

decyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]octanoate
CID 174785591
octyl 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]hexanoate
CID 175295487
tetradecyl 2-butylhexanoate
CID 91318887
octyl 2-butyldocosanoate
CID 174740469
decyl 2-hexyltetradecanoate
CID 57466026
tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
hexadecyl 2-hexylicosanoate
CID 87088758
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
butyl 2-butyldocosanoate
CID 175080024

Frequently Asked Questions

What is the IUPAC name of octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate?
The IUPAC name of octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate (CID 174785612) is octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate.
What is the SMILES notation for octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate?
The canonical SMILES for octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate is CCCCCCCCOC(=O)C(CCCC)CCOCCOCCOCCOC.
What is the InChIKey of octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate?
The InChIKey is XJFOGIGBDDYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O6/c1-4-6-8-9-10-11-14-29-23(24)22(12-7-5-2)13-15-26-18-19-28-21-20-27-17-16-25-3/h22H,4-21H2,1-3H3.
What are the key properties of octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate?
octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate has a molecular weight of 418.62 g/mol, XLogP of 4.78, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanoate is sourced from PubChem (CID 174785612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).