[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate

C17H32O7 — CID 131967149

IUPAC[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
SMILESCCOCCOCCOCCOC(=O)C(C)COC(=O)C(C)CC
InChIInChI=1S/C17H32O7/c1-5-14(3)16(18)24-13-15(4)17(19)23-12-11-22-10-9-21-8-7-20-6-2/h14-15H,5-13H2,1-4H3
InChIKeyBSICVDZAIMFBMW-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.82
Rot. Bonds15

About [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate

[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate (PubChem CID 131967149) has the molecular formula C17H32O7 and a molecular weight of 348.44 g/mol. Its IUPAC name is [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate.

Molecular Properties

Compound Name[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
PubChem CID131967149
Molecular FormulaC17H32O7
Molecular Weight348.44 g/mol
Exact Mass348.21
IUPAC Name[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
SMILESCCOCCOCCOCCOC(=O)C(C)COC(=O)C(C)CC
InChIInChI=1S/C17H32O7/c1-5-14(3)16(18)24-13-15(4)17(19)23-12-11-22-10-9-21-8-7-20-6-2/h14-15H,5-13H2,1-4H3
InChIKeyBSICVDZAIMFBMW-UHFFFAOYSA-N
XLogP1.82
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563
propyl (2R)-2-methylbutanoate
CID 86306230
2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate
CID 168763268
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate?
The IUPAC name of [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate (CID 131967149) is [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate.
What is the SMILES notation for [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate?
The canonical SMILES for [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate is CCOCCOCCOCCOC(=O)C(C)COC(=O)C(C)CC.
What is the InChIKey of [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate?
The InChIKey is BSICVDZAIMFBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O7/c1-5-14(3)16(18)24-13-15(4)17(19)23-12-11-22-10-9-21-8-7-20-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate?
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate has a molecular weight of 348.44 g/mol, XLogP of 1.82, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate is sourced from PubChem (CID 131967149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).