2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate

C19H38O11 — CID 162454151

IUPAC2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate
SMILESCCC(COC(=O)C(C)(C)CC)OCOCOCOCOCOCOCOCCO
InChIInChI=1S/C19H38O11/c1-5-17(9-29-18(21)19(3,4)6-2)30-16-28-15-27-14-26-13-25-12-24-11-23-10-22-8-7-20/h17,20H,5-16H2,1-4H3
InChIKeyZWJLQTUMNPQAEI-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.57
Rot. Bonds22

About 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate

2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate (PubChem CID 162454151) has the molecular formula C19H38O11 and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate
PubChem CID162454151
Molecular FormulaC19H38O11
Molecular Weight442.50 g/mol
Exact Mass442.24
IUPAC Name2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate
SMILESCCC(COC(=O)C(C)(C)CC)OCOCOCOCOCOCOCOCCO
InChIInChI=1S/C19H38O11/c1-5-17(9-29-18(21)19(3,4)6-2)30-16-28-15-27-14-26-13-25-12-24-11-23-10-22-8-7-20/h17,20H,5-16H2,1-4H3
InChIKeyZWJLQTUMNPQAEI-UHFFFAOYSA-N
XLogP1.57
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
CID 122450995
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746
[3-(ethenoxymethoxy)-2-[(3-methoxy-3-oxopropoxy)methoxy]propyl] 2,2-dimethylbutanoate
CID 20793495
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
2-(3-oxobutoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59991240
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
2-(2-oxopropoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59017070
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
iodomethyl 2,2-dimethylbutanoate
CID 14459667
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate
CID 140829607

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate (CID 162454151) is 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate is CCC(COC(=O)C(C)(C)CC)OCOCOCOCOCOCOCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate?
The InChIKey is ZWJLQTUMNPQAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O11/c1-5-17(9-29-18(21)19(3,4)6-2)30-16-28-15-27-14-26-13-25-12-24-11-23-10-22-8-7-20/h17,20H,5-16H2,1-4H3.
What are the key properties of 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate?
2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate has a molecular weight of 442.50 g/mol, XLogP of 1.57, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate is sourced from PubChem (CID 162454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).