2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate

C29H50O17 — CID 59854102

IUPAC2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
SMILESCC(=O)OCCOCC(COCC(COCC(COCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O
InChIInChI=1S/C29H50O17/c1-22(30)39-8-6-35-16-27(44-13-10-41-24(3)32)18-37-20-29(46-15-12-43-26(5)34)21-38-19-28(45-14-11-42-25(4)33)17-36-7-9-40-23(2)31/h27-29H,6-21H2,1-5H3
InChIKeyQBFZCTYIMLLKMO-UHFFFAOYSA-N
MW670.70 g/mol
LogP0.02
Rot. Bonds30

About 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate

2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate (PubChem CID 59854102) has the molecular formula C29H50O17 and a molecular weight of 670.70 g/mol. Its IUPAC name is 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
PubChem CID59854102
Molecular FormulaC29H50O17
Molecular Weight670.70 g/mol
Exact Mass670.30
IUPAC Name2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
SMILESCC(=O)OCCOCC(COCC(COCC(COCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O
InChIInChI=1S/C29H50O17/c1-22(30)39-8-6-35-16-27(44-13-10-41-24(3)32)18-37-20-29(46-15-12-43-26(5)34)21-38-19-28(45-14-11-42-25(4)33)17-36-7-9-40-23(2)31/h27-29H,6-21H2,1-5H3
InChIKeyQBFZCTYIMLLKMO-UHFFFAOYSA-N
XLogP0.02
TPSA196.11 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.70
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214
[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
2-[2-[2-[3-[2,3-bis[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]-2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 123639190
2-[2,3-bis[2-(2-hydroxypropanoyloxy)ethoxy]propoxy]ethyl 2-hydroxypropanoate
CID 164738437
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2,3-dipropoxypropyl acetate;ethylphosphane;methane
CID 158965859
2-[2,3-bis[2-[3-(2-hydroxyethoxy)pentanoyloxy]ethoxy]propoxy]ethyl 3-(2-hydroxyethoxy)pentanoate;methane
CID 163881594
2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate?
The IUPAC name of 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate (CID 59854102) is 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate?
The canonical SMILES for 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate is CC(=O)OCCOCC(COCC(COCC(COCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O)OCCOC(C)=O.
What is the InChIKey of 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate?
The InChIKey is QBFZCTYIMLLKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50O17/c1-22(30)39-8-6-35-16-27(44-13-10-41-24(3)32)18-37-20-29(46-15-12-43-26(5)34)21-38-19-28(45-14-11-42-25(4)33)17-36-7-9-40-23(2)31/h27-29H,6-21H2,1-5H3.
What are the key properties of 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate?
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate has a molecular weight of 670.70 g/mol, XLogP of 0.02, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate is sourced from PubChem (CID 59854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).