2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate

C19H36O6 — CID 88875867

IUPAC2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)OC(C)(C)C(=O)OCCOC(C)(C)C
InChIInChI=1S/C19H36O6/c1-10-18(6,7)15(20)23-13-14(2)25-19(8,9)16(21)22-11-12-24-17(3,4)5/h14H,10-13H2,1-9H3
InChIKeyVDCDWKIEEWMEFK-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.51
Rot. Bonds10

About 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate

2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate (PubChem CID 88875867) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
PubChem CID88875867
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)OC(C)(C)C(=O)OCCOC(C)(C)C
InChIInChI=1S/C19H36O6/c1-10-18(6,7)15(20)23-13-14(2)25-19(8,9)16(21)22-11-12-24-17(3,4)5/h14H,10-13H2,1-9H3
InChIKeyVDCDWKIEEWMEFK-UHFFFAOYSA-N
XLogP3.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.51
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-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
bis[2-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypropyl] 2,2,4-trimethylpentanedioate
CID 123549682
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746
2-(1,1-difluoro-2-hydroxyprop-2-enoxy)ethyl 2,2-dimethylbutanoate
CID 89254622
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
2-hydroxybutyl 2-[1-[1-[2-[2-[1-(2-hydroxybutoxy)-2-methyl-1-oxopropan-2-yl]oxypropoxycarbonyloxy]propoxy]propan-2-yloxycarbonyloxy]propan-2-yloxy]-2-methylpropanoate
CID 140611256

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate (CID 88875867) is 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(C)OC(C)(C)C(=O)OCCOC(C)(C)C.
What is the InChIKey of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate?
The InChIKey is VDCDWKIEEWMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-10-18(6,7)15(20)23-13-14(2)25-19(8,9)16(21)22-11-12-24-17(3,4)5/h14H,10-13H2,1-9H3.
What are the key properties of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate?
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate has a molecular weight of 360.49 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 88875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).