tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate

C19H30O5 — CID 59029725

IUPACtert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate
SMILESCCC(C)c1cc(OC)cc(OCCOCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30O5/c1-7-14(2)15-10-16(21-6)12-17(11-15)23-9-8-22-13-18(20)24-19(3,4)5/h10-12,14H,7-9,13H2,1-6H3
InChIKeyVDKFSXNJUQICAU-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.95
Rot. Bonds9

About tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate

tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate (PubChem CID 59029725) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate
PubChem CID59029725
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Nametert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate
SMILESCCC(C)c1cc(OC)cc(OCCOCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30O5/c1-7-14(2)15-10-16(21-6)12-17(11-15)23-9-8-22-13-18(20)24-19(3,4)5/h10-12,14H,7-9,13H2,1-6H3
InChIKeyVDKFSXNJUQICAU-UHFFFAOYSA-N
XLogP3.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate (CID 59029725) is tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate is CCC(C)c1cc(OC)cc(OCCOCC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate?
The InChIKey is VDKFSXNJUQICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-7-14(2)15-10-16(21-6)12-17(11-15)23-9-8-22-13-18(20)24-19(3,4)5/h10-12,14H,7-9,13H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate?
tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate has a molecular weight of 338.44 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-butan-2-yl-5-methoxyphenoxy)ethoxy]acetate is sourced from PubChem (CID 59029725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).