tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate

C14H24O5 — CID 23583132

IUPACtert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)C1(CCC2CO2)OCCO1
InChIInChI=1S/C14H24O5/c1-10(12(15)19-13(2,3)4)14(17-7-8-18-14)6-5-11-9-16-11/h10-11H,5-9H2,1-4H3
InChIKeyKRNVEJKBFYNHJU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate

tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate (PubChem CID 23583132) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate
PubChem CID23583132
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nametert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)C1(CCC2CO2)OCCO1
InChIInChI=1S/C14H24O5/c1-10(12(15)19-13(2,3)4)14(17-7-8-18-14)6-5-11-9-16-11/h10-11H,5-9H2,1-4H3
InChIKeyKRNVEJKBFYNHJU-UHFFFAOYSA-N
XLogP1.89
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate (CID 23583132) is tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate is CC(C(=O)OC(C)(C)C)C1(CCC2CO2)OCCO1.
What is the InChIKey of tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate?
The InChIKey is KRNVEJKBFYNHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-10(12(15)19-13(2,3)4)14(17-7-8-18-14)6-5-11-9-16-11/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate?
tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate has a molecular weight of 272.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(oxiran-2-yl)ethyl]-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 23583132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).