2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate

C15H20O6 — CID 91712098

IUPAC2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
SMILESCOc1ccccc1OC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-7-5-4-6-12(13)18-3/h4-7,11H,8-10H2,1-3H3
InChIKeyZGASQFPKBVTPGX-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.82
Rot. Bonds8

About 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate

2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate (PubChem CID 91712098) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
PubChem CID91712098
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
SMILESCOc1ccccc1OC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-7-5-4-6-12(13)18-3/h4-7,11H,8-10H2,1-3H3
InChIKeyZGASQFPKBVTPGX-UHFFFAOYSA-N
XLogP1.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate?
The IUPAC name of 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate (CID 91712098) is 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate?
The canonical SMILES for 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate is COc1ccccc1OC(=O)COCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate?
The InChIKey is ZGASQFPKBVTPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-7-5-4-6-12(13)18-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate?
2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate has a molecular weight of 296.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91712098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).