5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene

C22H42O4 — CID 23572296

IUPAC5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
SMILESC=CCCC(COCCC)COCCOCC(CCC=C)COCCC
InChIInChI=1S/C22H42O4/c1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h5-6,21-22H,1-2,7-20H2,3-4H3
InChIKeyASYJTKRPTIZRBO-UHFFFAOYSA-N
MW370.57 g/mol
LogP5.04
Rot. Bonds21

About 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene

5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene (PubChem CID 23572296) has the molecular formula C22H42O4 and a molecular weight of 370.57 g/mol. Its IUPAC name is 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene.

Molecular Properties

Compound Name5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
PubChem CID23572296
Molecular FormulaC22H42O4
Molecular Weight370.57 g/mol
Exact Mass370.31
IUPAC Name5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
SMILESC=CCCC(COCCC)COCCOCC(CCC=C)COCCC
InChIInChI=1S/C22H42O4/c1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h5-6,21-22H,1-2,7-20H2,3-4H3
InChIKeyASYJTKRPTIZRBO-UHFFFAOYSA-N
XLogP5.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The IUPAC name of 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene (CID 23572296) is 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene.
What is the SMILES notation for 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The canonical SMILES for 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene is C=CCCC(COCCC)COCCOCC(CCC=C)COCCC.
What is the InChIKey of 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The InChIKey is ASYJTKRPTIZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4/c1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h5-6,21-22H,1-2,7-20H2,3-4H3.
What are the key properties of 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene has a molecular weight of 370.57 g/mol, XLogP of 5.04, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene is sourced from PubChem (CID 23572296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).