2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane

C28H52O6 — CID 138481265

IUPAC2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane
SMILESC=C(C)CCOC(C)(C)COC(C)(C)C(COC(C)(C)COC(C)(C)CC(=C)C)OCC1CO1
InChIInChI=1S/C28H52O6/c1-21(2)13-14-31-26(7,8)20-34-28(11,12)24(30-17-23-16-29-23)18-32-27(9,10)19-33-25(5,6)15-22(3)4/h23-24H,1,3,13-20H2,2,4-12H3
InChIKeyGCNFSCFVUBYDJU-UHFFFAOYSA-N
MW484.72 g/mol
LogP5.88
Rot. Bonds19

About 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane

2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane (PubChem CID 138481265) has the molecular formula C28H52O6 and a molecular weight of 484.72 g/mol. Its IUPAC name is 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane
PubChem CID138481265
Molecular FormulaC28H52O6
Molecular Weight484.72 g/mol
Exact Mass484.38
IUPAC Name2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane
SMILESC=C(C)CCOC(C)(C)COC(C)(C)C(COC(C)(C)COC(C)(C)CC(=C)C)OCC1CO1
InChIInChI=1S/C28H52O6/c1-21(2)13-14-31-26(7,8)20-34-28(11,12)24(30-17-23-16-29-23)18-32-27(9,10)19-33-25(5,6)15-22(3)4/h23-24H,1,3,13-20H2,2,4-12H3
InChIKeyGCNFSCFVUBYDJU-UHFFFAOYSA-N
XLogP5.88
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane (CID 138481265) is 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane is C=C(C)CCOC(C)(C)COC(C)(C)C(COC(C)(C)COC(C)(C)CC(=C)C)OCC1CO1.
What is the InChIKey of 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane?
The InChIKey is GCNFSCFVUBYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O6/c1-21(2)13-14-31-26(7,8)20-34-28(11,12)24(30-17-23-16-29-23)18-32-27(9,10)19-33-25(5,6)15-22(3)4/h23-24H,1,3,13-20H2,2,4-12H3.
What are the key properties of 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane?
2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane has a molecular weight of 484.72 g/mol, XLogP of 5.88, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 138481265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).