2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate

C19H36O6 — CID 170541221

IUPAC2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCOCC(C)OCCOC(=O)C(C)(C)CC
InChIInChI=1S/C19H36O6/c1-8-18(4,5)16(20)24-11-10-22-14-15(3)23-12-13-25-17(21)19(6,7)9-2/h15H,8-14H2,1-7H3
InChIKeyXXNWNGCYZBTXIT-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.37
Rot. Bonds13

About 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate

2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate (PubChem CID 170541221) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
PubChem CID170541221
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCOCC(C)OCCOC(=O)C(C)(C)CC
InChIInChI=1S/C19H36O6/c1-8-18(4,5)16(20)24-11-10-22-14-15(3)23-12-13-25-17(21)19(6,7)9-2/h15H,8-14H2,1-7H3
InChIKeyXXNWNGCYZBTXIT-UHFFFAOYSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.37
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-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
2-(3-oxobutoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59991240
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
[2-[4-(2,2-dimethylbutanoyloxy)butoxy]-1-hydroxyethyl] 6-(6-prop-2-enoyloxyhexanoyloxy)hexanoate;2-(1-prop-2-enoyloxypropan-2-yloxy)ethyl 2,2-dimethylbutanoate
CID 159642868
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
2-(2-oxopropoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59017070
4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid
CID 103490852
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
CID 88875867
2-(diethylamino)ethyl 2-(bromomethyl)-4-[2-[1-[3-(bromomethyl)-4-[2-(diethylamino)ethoxy]-3-methyl-4-oxobutoxy]propan-2-yloxy]ethoxy]-2-methylbutanoate
CID 169021415
iodomethyl 2,2-dimethylbutanoate
CID 14459667

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate (CID 170541221) is 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCOCC(C)OCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate?
The InChIKey is XXNWNGCYZBTXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-8-18(4,5)16(20)24-11-10-22-14-15(3)23-12-13-25-17(21)19(6,7)9-2/h15H,8-14H2,1-7H3.
What are the key properties of 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate?
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate has a molecular weight of 360.49 g/mol, XLogP of 3.37, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 170541221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).