4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene

C14H26O5 — CID 57202172

IUPAC4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
SMILESC=CCCOCCOCOCOCCOCCC=C
InChIInChI=1S/C14H26O5/c1-3-5-7-15-9-11-17-13-19-14-18-12-10-16-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyWLJKSFMUJAZNCZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.14
Rot. Bonds16

About 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene

4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene (PubChem CID 57202172) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene.

Molecular Properties

Compound Name4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
PubChem CID57202172
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
SMILESC=CCCOCCOCOCOCCOCCC=C
InChIInChI=1S/C14H26O5/c1-3-5-7-15-9-11-17-13-19-14-18-12-10-16-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyWLJKSFMUJAZNCZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

but-3-enoxymethoxymethanol
CID 101038946
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
but-3-enoxymethoxy(hydroxy)silane
CID 154087437
4-ethoxybut-1-ene
CID 533994
4-but-3-enoxybutan-1-amine
CID 62443068
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
1-bromo-9-but-3-enoxynonane
CID 105343299
12-dodec-11-enoxydodec-1-ene
CID 87325659
4-but-3-enoxybutanoic acid
CID 10329531
4-but-3-enoxybutane-1,2-diol
CID 171403139
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene?
The IUPAC name of 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene (CID 57202172) is 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene.
What is the SMILES notation for 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene?
The canonical SMILES for 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene is C=CCCOCCOCOCOCCOCCC=C.
What is the InChIKey of 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene?
The InChIKey is WLJKSFMUJAZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-3-5-7-15-9-11-17-13-19-14-18-12-10-16-8-6-4-2/h3-4H,1-2,5-14H2.
What are the key properties of 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene?
4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene has a molecular weight of 274.36 g/mol, XLogP of 2.14, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene is sourced from PubChem (CID 57202172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).