2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate

C18H36O8 — CID 6428226

IUPAC2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCOCCOCCOCCOCC(C)C
InChIInChI=1S/C18H36O8/c1-17(2)16-25-13-12-23-9-8-21-5-4-20-6-7-22-10-11-24-14-15-26-18(3)19/h17H,4-16H2,1-3H3
InChIKeyNKHWHOCQJPKIFZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP1.31
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate

2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate (PubChem CID 6428226) has the molecular formula C18H36O8 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
PubChem CID6428226
Molecular FormulaC18H36O8
Molecular Weight380.48 g/mol
Exact Mass380.24
IUPAC Name2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCOCCOCCOCCOCC(C)C
InChIInChI=1S/C18H36O8/c1-17(2)16-25-13-12-23-9-8-21-5-4-20-6-7-22-10-11-24-14-15-26-18(3)19/h17H,4-16H2,1-3H3
InChIKeyNKHWHOCQJPKIFZ-UHFFFAOYSA-N
XLogP1.31
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)ethyl acetate
CID 520944
2-(2-methylpropoxy)ethyl 2-methylbut-2-enoate
CID 174686626
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-methylpropyl acetate;hydrate
CID 86585368
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate (CID 6428226) is 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate is CC(=O)OCCOCCOCCOCCOCCOCCOCC(C)C.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate?
The InChIKey is NKHWHOCQJPKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O8/c1-17(2)16-25-13-12-23-9-8-21-5-4-20-6-7-22-10-11-24-14-15-26-18(3)19/h17H,4-16H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate?
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate has a molecular weight of 380.48 g/mol, XLogP of 1.31, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 6428226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).