tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate

C15H28O6 — CID 71514615

IUPACtert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
SMILESC=CCOCCOCCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C15H28O6/c1-5-6-17-7-8-18-9-10-19-11-12-20-13-14(16)21-15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyPYYNILDTCWONBI-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.58
Rot. Bonds13

About tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate (PubChem CID 71514615) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
PubChem CID71514615
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Nametert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
SMILESC=CCOCCOCCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C15H28O6/c1-5-6-17-7-8-18-9-10-19-11-12-20-13-14(16)21-15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyPYYNILDTCWONBI-UHFFFAOYSA-N
XLogP1.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
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tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
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tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
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tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
tert-butyl 2-(2-chloroethoxy)acetate
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tert-butyl 2-[2-(2-acetylsulfanylethoxy)ethoxy]acetate
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tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
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tert-butyl 4-[2-[2-[2-(3-oxo-3-prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]butanoate
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tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate (CID 71514615) is tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate is C=CCOCCOCCOCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate?
The InChIKey is PYYNILDTCWONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-5-6-17-7-8-18-9-10-19-11-12-20-13-14(16)21-15(2,3)4/h5H,1,6-13H2,2-4H3.
What are the key properties of tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate has a molecular weight of 304.38 g/mol, XLogP of 1.58, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 71514615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).