tert-butyl 2-(4-phenylmethoxybutoxy)acetate

C17H26O4 — CID 176906340

IUPACtert-butyl 2-(4-phenylmethoxybutoxy)acetate
SMILESCC(C)(C)OC(=O)COCCCCOCc1ccccc1
InChIInChI=1S/C17H26O4/c1-17(2,3)21-16(18)14-20-12-8-7-11-19-13-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3
InChIKeyWSQBRGKPLRHDQK-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.34
Rot. Bonds9

About tert-butyl 2-(4-phenylmethoxybutoxy)acetate

tert-butyl 2-(4-phenylmethoxybutoxy)acetate (PubChem CID 176906340) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl 2-(4-phenylmethoxybutoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-phenylmethoxybutoxy)acetate
PubChem CID176906340
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nametert-butyl 2-(4-phenylmethoxybutoxy)acetate
SMILESCC(C)(C)OC(=O)COCCCCOCc1ccccc1
InChIInChI=1S/C17H26O4/c1-17(2,3)21-16(18)14-20-12-8-7-11-19-13-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3
InChIKeyWSQBRGKPLRHDQK-UHFFFAOYSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.34
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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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-[3,5-bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 86607046
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
tert-butyl 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate
CID 11325667
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
4-phenylmethoxybutyl 2,2-dimethylpropanoate
CID 56837525
5,5-dimethylhexyl 2-phenylmethoxyacetate
CID 138647452
tert-butyl 2-[2-[2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 153375811
tert-butyl 3-hydroxy-3-(6-phenylmethoxyhexyl)azetidine-1-carboxylate
CID 134481465
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 2-[3-(2-bromophenyl)propoxy]acetate
CID 118947551
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-phenylmethoxybutoxy)acetate?
The IUPAC name of tert-butyl 2-(4-phenylmethoxybutoxy)acetate (CID 176906340) is tert-butyl 2-(4-phenylmethoxybutoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-phenylmethoxybutoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-phenylmethoxybutoxy)acetate is CC(C)(C)OC(=O)COCCCCOCc1ccccc1.
What is the InChIKey of tert-butyl 2-(4-phenylmethoxybutoxy)acetate?
The InChIKey is WSQBRGKPLRHDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-17(2,3)21-16(18)14-20-12-8-7-11-19-13-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3.
What are the key properties of tert-butyl 2-(4-phenylmethoxybutoxy)acetate?
tert-butyl 2-(4-phenylmethoxybutoxy)acetate has a molecular weight of 294.39 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-phenylmethoxybutoxy)acetate is sourced from PubChem (CID 176906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).