tert-butyl 2-(2-butoxyethoxy)propanoate

C13H26O4 — CID 66337185

IUPACtert-butyl 2-(2-butoxyethoxy)propanoate
SMILESCCCCOCCOC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26O4/c1-6-7-8-15-9-10-16-11(2)12(14)17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyPBEDVHPPXBNTSU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds8

About tert-butyl 2-(2-butoxyethoxy)propanoate

tert-butyl 2-(2-butoxyethoxy)propanoate (PubChem CID 66337185) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl 2-(2-butoxyethoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-butoxyethoxy)propanoate
PubChem CID66337185
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Nametert-butyl 2-(2-butoxyethoxy)propanoate
SMILESCCCCOCCOC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26O4/c1-6-7-8-15-9-10-16-11(2)12(14)17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyPBEDVHPPXBNTSU-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
tert-butyl 2-heptoxypropanoate
CID 66337184
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
3-(2-butoxyethoxy)butan-2-one
CID 43800225
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
ethyl 2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]propanoate
CID 140844510
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 166810956
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-butoxyethoxy)propanoate?
The IUPAC name of tert-butyl 2-(2-butoxyethoxy)propanoate (CID 66337185) is tert-butyl 2-(2-butoxyethoxy)propanoate.
What is the SMILES notation for tert-butyl 2-(2-butoxyethoxy)propanoate?
The canonical SMILES for tert-butyl 2-(2-butoxyethoxy)propanoate is CCCCOCCOC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-butoxyethoxy)propanoate?
The InChIKey is PBEDVHPPXBNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-6-7-8-15-9-10-16-11(2)12(14)17-13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(2-butoxyethoxy)propanoate?
tert-butyl 2-(2-butoxyethoxy)propanoate has a molecular weight of 246.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-butoxyethoxy)propanoate is sourced from PubChem (CID 66337185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).