2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate

C18H36O6 — CID 121469854

IUPAC2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
SMILESCC(C)COCCOCCOCCOCCCC(=O)OCC(C)C
InChIInChI=1S/C18H36O6/c1-16(2)14-23-13-12-22-11-10-21-9-8-20-7-5-6-18(19)24-15-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeyASEAHEDPHHFNAD-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.69
Rot. Bonds17

About 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate

2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate (PubChem CID 121469854) has the molecular formula C18H36O6 and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Name2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
PubChem CID121469854
Molecular FormulaC18H36O6
Molecular Weight348.48 g/mol
Exact Mass348.25
IUPAC Name2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
SMILESCC(C)COCCOCCOCCOCCCC(=O)OCC(C)C
InChIInChI=1S/C18H36O6/c1-16(2)14-23-13-12-22-11-10-21-9-8-20-7-5-6-18(19)24-15-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeyASEAHEDPHHFNAD-UHFFFAOYSA-N
XLogP2.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.69
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

2-methylpropyl 4-(2-octoxyethoxy)butanoate
CID 121470140
2-methylpropyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470454
pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate
CID 121470032
7-methyloctyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 140909679
nonyl 4-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]butanoate
CID 121469477
2-methylpropyl 5-ethoxypentanoate
CID 134561758
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487391
2-methylpropyl 5-methoxypentanoate
CID 134561762
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
propyl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121470462

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate?
The IUPAC name of 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate (CID 121469854) is 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate.
What is the SMILES notation for 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate?
The canonical SMILES for 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate is CC(C)COCCOCCOCCOCCCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate?
The InChIKey is ASEAHEDPHHFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6/c1-16(2)14-23-13-12-22-11-10-21-9-8-20-7-5-6-18(19)24-15-17(3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate?
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate has a molecular weight of 348.48 g/mol, XLogP of 2.69, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121469854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).