tert-butyl 2-(2-propoxyethoxy)propanoate

C12H24O4 — CID 66338102

IUPACtert-butyl 2-(2-propoxyethoxy)propanoate
SMILESCCCOCCOC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O4/c1-6-7-14-8-9-15-10(2)11(13)16-12(3,4)5/h10H,6-9H2,1-5H3
InChIKeyWVBSDIUZQYSPLU-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.16
Rot. Bonds7

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

tert-butyl 2-(2-propoxyethoxy)propanoate (PubChem CID 66338102) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl 2-(2-propoxyethoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-propoxyethoxy)propanoate
PubChem CID66338102
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nametert-butyl 2-(2-propoxyethoxy)propanoate
SMILESCCCOCCOC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O4/c1-6-7-14-8-9-15-10(2)11(13)16-12(3,4)5/h10H,6-9H2,1-5H3
InChIKeyWVBSDIUZQYSPLU-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-propoxyethoxy)propanoate?
The IUPAC name of tert-butyl 2-(2-propoxyethoxy)propanoate (CID 66338102) is tert-butyl 2-(2-propoxyethoxy)propanoate.
What is the SMILES notation for tert-butyl 2-(2-propoxyethoxy)propanoate?
The canonical SMILES for tert-butyl 2-(2-propoxyethoxy)propanoate is CCCOCCOC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-propoxyethoxy)propanoate?
The InChIKey is WVBSDIUZQYSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-7-14-8-9-15-10(2)11(13)16-12(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-(2-propoxyethoxy)propanoate?
tert-butyl 2-(2-propoxyethoxy)propanoate has a molecular weight of 232.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-propoxyethoxy)propanoate is sourced from PubChem (CID 66338102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).