4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene

C34H62O5 — CID 23572288

IUPAC4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene
SMILESC=CCC(CC)COCC(COCC(COCC(CC)CC=C)OCC(CC)CC=C)OCC(CC)CC=C
InChIInChI=1S/C34H62O5/c1-9-17-29(13-5)21-35-25-33(38-23-31(15-7)19-11-3)27-37-28-34(39-24-32(16-8)20-12-4)26-36-22-30(14-6)18-10-2/h9-12,29-34H,1-4,13-28H2,5-8H3
InChIKeyXAJFGKJJBOFGGJ-UHFFFAOYSA-N
MW550.87 g/mol
LogP8.22
Rot. Bonds30

About 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene

4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene (PubChem CID 23572288) has the molecular formula C34H62O5 and a molecular weight of 550.87 g/mol. Its IUPAC name is 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene.

Molecular Properties

Compound Name4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene
PubChem CID23572288
Molecular FormulaC34H62O5
Molecular Weight550.87 g/mol
Exact Mass550.46
IUPAC Name4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene
SMILESC=CCC(CC)COCC(COCC(COCC(CC)CC=C)OCC(CC)CC=C)OCC(CC)CC=C
InChIInChI=1S/C34H62O5/c1-9-17-29(13-5)21-35-25-33(38-23-31(15-7)19-11-3)27-37-28-34(39-24-32(16-8)20-12-4)26-36-22-30(14-6)18-10-2/h9-12,29-34H,1-4,13-28H2,5-8H3
InChIKeyXAJFGKJJBOFGGJ-UHFFFAOYSA-N
XLogP8.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.87
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene?
The IUPAC name of 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene (CID 23572288) is 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene.
What is the SMILES notation for 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene?
The canonical SMILES for 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene is C=CCC(CC)COCC(COCC(COCC(CC)CC=C)OCC(CC)CC=C)OCC(CC)CC=C.
What is the InChIKey of 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene?
The InChIKey is XAJFGKJJBOFGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62O5/c1-9-17-29(13-5)21-35-25-33(38-23-31(15-7)19-11-3)27-37-28-34(39-24-32(16-8)20-12-4)26-36-22-30(14-6)18-10-2/h9-12,29-34H,1-4,13-28H2,5-8H3.
What are the key properties of 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene?
4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene has a molecular weight of 550.87 g/mol, XLogP of 8.22, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2,3-bis(2-ethylpent-4-enoxy)propoxy]-2-(2-ethylpent-4-enoxy)propoxy]methyl]hex-1-ene is sourced from PubChem (CID 23572288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).