1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane

C23H48O6 — CID 151724219

IUPAC1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane
SMILESCCCCOC(CCCC(OCCC)OOC(C)(C)C)(OC(C)C)OC(C)CC
InChIInChI=1S/C23H48O6/c1-10-13-18-25-23(26-19(4)5,27-20(6)12-3)16-14-15-21(24-17-11-2)28-29-22(7,8)9/h19-21H,10-18H2,1-9H3
InChIKeyRJFMYYXJWDQCDL-UHFFFAOYSA-N
MW420.63 g/mol
LogP6.37
Rot. Bonds18

About 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane

1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane (PubChem CID 151724219) has the molecular formula C23H48O6 and a molecular weight of 420.63 g/mol. Its IUPAC name is 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane.

Molecular Properties

Compound Name1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane
PubChem CID151724219
Molecular FormulaC23H48O6
Molecular Weight420.63 g/mol
Exact Mass420.35
IUPAC Name1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane
SMILESCCCCOC(CCCC(OCCC)OOC(C)(C)C)(OC(C)C)OC(C)CC
InChIInChI=1S/C23H48O6/c1-10-13-18-25-23(26-19(4)5,27-20(6)12-3)16-14-15-21(24-17-11-2)28-29-22(7,8)9/h19-21H,10-18H2,1-9H3
InChIKeyRJFMYYXJWDQCDL-UHFFFAOYSA-N
XLogP6.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane with MolForge

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Related Compounds

3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
CID 90890219
1,1-dibutoxy-1-[1-[1-(1,1-dibutoxypentoxy)propoxymethoxymethoxy]propoxy]pentane
CID 175173883
2-butoxy-2-propan-2-yloxybutane
CID 174800754
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
bis(1-tert-butylperoxyhexadecyl) carbonate
CID 139805779
1,1,4,4-tetrabutoxybutane
CID 139887225
1-butan-2-yloxy-1-butoxybutane
CID 19964023
1-butoxydodecoxy dihydrogen phosphate
CID 175269867
1,1-dibutoxyoctane
CID 54557001
2-butan-2-yloxybutane;2-(2-butoxyethoxy)ethanol;2-(2-hydroxyethoxy)ethanol;2-[(2-methylpropan-2-yl)oxy]ethanol;2-(2-propan-2-yloxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 160924404
1,1-bis(tert-butylperoxy)-2-methylhexane
CID 22184035
3-butoxy-3-methylpentan-2-ol
CID 175045885

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane?
The IUPAC name of 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane (CID 151724219) is 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane.
What is the SMILES notation for 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane?
The canonical SMILES for 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane is CCCCOC(CCCC(OCCC)OOC(C)(C)C)(OC(C)C)OC(C)CC.
What is the InChIKey of 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane?
The InChIKey is RJFMYYXJWDQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O6/c1-10-13-18-25-23(26-19(4)5,27-20(6)12-3)16-14-15-21(24-17-11-2)28-29-22(7,8)9/h19-21H,10-18H2,1-9H3.
What are the key properties of 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane?
1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane has a molecular weight of 420.63 g/mol, XLogP of 6.37, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane is sourced from PubChem (CID 151724219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).