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

C16H30O5 — CID 57094594

IUPAC4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene
SMILESC=CCCOCCOCCOCCOCCOCCC=C
InChIInChI=1S/C16H30O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-4H,1-2,5-16H2
InChIKeyJVHZVOOWUTWFCR-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.22
Rot. Bonds18

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

4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene (PubChem CID 57094594) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene.

Molecular Properties

Compound Name4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene
PubChem CID57094594
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene
SMILESC=CCCOCCOCCOCCOCCOCCC=C
InChIInChI=1S/C16H30O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-4H,1-2,5-16H2
InChIKeyJVHZVOOWUTWFCR-UHFFFAOYSA-N
XLogP2.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene?
The IUPAC name of 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene (CID 57094594) is 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene.
What is the SMILES notation for 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene?
The canonical SMILES for 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene is C=CCCOCCOCCOCCOCCOCCC=C.
What is the InChIKey of 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene?
The InChIKey is JVHZVOOWUTWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-4H,1-2,5-16H2.
What are the key properties of 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene?
4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene has a molecular weight of 302.41 g/mol, XLogP of 2.22, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene is sourced from PubChem (CID 57094594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).