5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane

C20H38O3 — CID 88669267

IUPAC5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane
SMILESCC(C)=COCCCCCCOCCCCC(C)OC=C(C)C
InChIInChI=1S/C20H38O3/c1-18(2)16-22-15-10-7-6-9-13-21-14-11-8-12-20(5)23-17-19(3)4/h16-17,20H,6-15H2,1-5H3
InChIKeyWKKFNEQSACDFNG-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.00
Rot. Bonds15

About 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane

5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane (PubChem CID 88669267) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane.

Molecular Properties

Compound Name5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane
PubChem CID88669267
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane
SMILESCC(C)=COCCCCCCOCCCCC(C)OC=C(C)C
InChIInChI=1S/C20H38O3/c1-18(2)16-22-15-10-7-6-9-13-21-14-11-8-12-20(5)23-17-19(3)4/h16-17,20H,6-15H2,1-5H3
InChIKeyWKKFNEQSACDFNG-UHFFFAOYSA-N
XLogP6.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane?
The IUPAC name of 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane (CID 88669267) is 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane.
What is the SMILES notation for 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane?
The canonical SMILES for 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane is CC(C)=COCCCCCCOCCCCC(C)OC=C(C)C.
What is the InChIKey of 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane?
The InChIKey is WKKFNEQSACDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-18(2)16-22-15-10-7-6-9-13-21-14-11-8-12-20(5)23-17-19(3)4/h16-17,20H,6-15H2,1-5H3.
What are the key properties of 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane?
5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane has a molecular weight of 326.52 g/mol, XLogP of 6.00, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane is sourced from PubChem (CID 88669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).