4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate

C16H26O6 — CID 164930004

IUPAC4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(C)OCCCCOC(=O)C=C
InChIInChI=1S/C16H26O6/c1-4-15(17)21-12-8-6-10-19-14(3)20-11-7-9-13-22-16(18)5-2/h4-5,14H,1-2,6-13H2,3H3
InChIKeyZFIYLDHBWQVGKO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.38
Rot. Bonds14

About 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate

4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate (PubChem CID 164930004) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
PubChem CID164930004
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(C)OCCCCOC(=O)C=C
InChIInChI=1S/C16H26O6/c1-4-15(17)21-12-8-6-10-19-14(3)20-11-7-9-13-22-16(18)5-2/h4-5,14H,1-2,6-13H2,3H3
InChIKeyZFIYLDHBWQVGKO-UHFFFAOYSA-N
XLogP2.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
4-(1-cyanoethoxy)butyl prop-2-enoate
CID 141064228
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
4-methoxybutyl prop-2-enoate
CID 22321356
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
2-methylidene-4-[1-(2-prop-2-enoyloxyethoxy)ethoxy]butanoic acid
CID 175196518
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate?
The IUPAC name of 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate (CID 164930004) is 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate.
What is the SMILES notation for 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate?
The canonical SMILES for 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate is C=CC(=O)OCCCCOC(C)OCCCCOC(=O)C=C.
What is the InChIKey of 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate?
The InChIKey is ZFIYLDHBWQVGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-4-15(17)21-12-8-6-10-19-14(3)20-11-7-9-13-22-16(18)5-2/h4-5,14H,1-2,6-13H2,3H3.
What are the key properties of 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate?
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 2.38, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate is sourced from PubChem (CID 164930004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).