5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene

C24H44O6 — CID 21349204

IUPAC5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene
SMILESC=CCCCOCCOCC(COCCOCCCC=C)OCCOCCCC=C
InChIInChI=1S/C24H44O6/c1-4-7-10-13-25-16-18-28-22-24(30-21-20-27-15-12-9-6-3)23-29-19-17-26-14-11-8-5-2/h4-6,24H,1-3,7-23H2
InChIKeyCHIAJLCOGKEAOS-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.35
Rot. Bonds26

About 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene

5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene (PubChem CID 21349204) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene.

Molecular Properties

Compound Name5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene
PubChem CID21349204
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene
SMILESC=CCCCOCCOCC(COCCOCCCC=C)OCCOCCCC=C
InChIInChI=1S/C24H44O6/c1-4-7-10-13-25-16-18-28-22-24(30-21-20-27-15-12-9-6-3)23-29-19-17-26-14-11-8-5-2/h4-6,24H,1-3,7-23H2
InChIKeyCHIAJLCOGKEAOS-UHFFFAOYSA-N
XLogP4.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene?
The IUPAC name of 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene (CID 21349204) is 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene.
What is the SMILES notation for 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene?
The canonical SMILES for 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene is C=CCCCOCCOCC(COCCOCCCC=C)OCCOCCCC=C.
What is the InChIKey of 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene?
The InChIKey is CHIAJLCOGKEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-4-7-10-13-25-16-18-28-22-24(30-21-20-27-15-12-9-6-3)23-29-19-17-26-14-11-8-5-2/h4-6,24H,1-3,7-23H2.
What are the key properties of 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene?
5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene has a molecular weight of 428.61 g/mol, XLogP of 4.35, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,3-bis(2-pent-4-enoxyethoxy)propoxy]ethoxy]pent-1-ene is sourced from PubChem (CID 21349204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).