tert-butyl 2-(3-hexoxypropoxy)acetate

C15H30O4 — CID 122428498

IUPACtert-butyl 2-(3-hexoxypropoxy)acetate
SMILESCCCCCCOCCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C15H30O4/c1-5-6-7-8-10-17-11-9-12-18-13-14(16)19-15(2,3)4/h5-13H2,1-4H3
InChIKeyKQUMLVYUICCKAG-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.33
Rot. Bonds11

About tert-butyl 2-(3-hexoxypropoxy)acetate

tert-butyl 2-(3-hexoxypropoxy)acetate (PubChem CID 122428498) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl 2-(3-hexoxypropoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hexoxypropoxy)acetate
PubChem CID122428498
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Nametert-butyl 2-(3-hexoxypropoxy)acetate
SMILESCCCCCCOCCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C15H30O4/c1-5-6-7-8-10-17-11-9-12-18-13-14(16)19-15(2,3)4/h5-13H2,1-4H3
InChIKeyKQUMLVYUICCKAG-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.33
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-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
tert-butyl 6-(4-pentoxybutoxy)hexanoate
CID 135210268
tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
CID 167404760
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
CID 126602178
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
CID 135390378
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl octacosanoate
CID 174872722
2-(3-pentoxypropoxy)acetic acid
CID 87690059
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hexoxypropoxy)acetate?
The IUPAC name of tert-butyl 2-(3-hexoxypropoxy)acetate (CID 122428498) is tert-butyl 2-(3-hexoxypropoxy)acetate.
What is the SMILES notation for tert-butyl 2-(3-hexoxypropoxy)acetate?
The canonical SMILES for tert-butyl 2-(3-hexoxypropoxy)acetate is CCCCCCOCCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-hexoxypropoxy)acetate?
The InChIKey is KQUMLVYUICCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-6-7-8-10-17-11-9-12-18-13-14(16)19-15(2,3)4/h5-13H2,1-4H3.
What are the key properties of tert-butyl 2-(3-hexoxypropoxy)acetate?
tert-butyl 2-(3-hexoxypropoxy)acetate has a molecular weight of 274.40 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hexoxypropoxy)acetate is sourced from PubChem (CID 122428498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).