tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate

C19H26O7 — CID 19085805

IUPACtert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(C=O)cc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C19H26O7/c1-18(2,3)25-16(21)11-23-14-8-7-13(10-20)9-15(14)24-12-17(22)26-19(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyOCRKNCUYZFTMEQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.94
Rot. Bonds7

About tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate

tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate (PubChem CID 19085805) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
PubChem CID19085805
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Nametert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(C=O)cc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C19H26O7/c1-18(2,3)25-16(21)11-23-14-8-7-13(10-20)9-15(14)24-12-17(22)26-19(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyOCRKNCUYZFTMEQ-UHFFFAOYSA-N
XLogP2.94
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
tert-butyl 2-[2-(1-fluoroethoxy)-5-formylphenoxy]acetate;hydrate
CID 143753517
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-[4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 86750899
tert-butyl 2-[2-formyl-5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]acetate
CID 142470364
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
tert-butyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 67072235
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate?
The IUPAC name of tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate (CID 19085805) is tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate is CC(C)(C)OC(=O)COc1ccc(C=O)cc1OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate?
The InChIKey is OCRKNCUYZFTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O7/c1-18(2,3)25-16(21)11-23-14-8-7-13(10-20)9-15(14)24-12-17(22)26-19(4,5)6/h7-10H,11-12H2,1-6H3.
What are the key properties of tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate?
tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate has a molecular weight of 366.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate is sourced from PubChem (CID 19085805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).