[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite

C25H51FO8 — CID 148549830

IUPAC[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite
SMILESCCCCOC(OCC(C)C)(OC(C)CC)C(COC)(OF)C(OCC)(OCCC)OC(C)C
InChIInChI=1S/C25H51FO8/c1-11-15-17-30-25(31-18-20(5)6,33-22(9)13-3)23(34-26,19-27-10)24(28-14-4,29-16-12-2)32-21(7)8/h20-22H,11-19H2,1-10H3
InChIKeyPOBVFBZSGDEOTI-UHFFFAOYSA-N
MW498.67 g/mol
LogP5.77
Rot. Bonds22

About [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite

[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite (PubChem CID 148549830) has the molecular formula C25H51FO8 and a molecular weight of 498.67 g/mol. Its IUPAC name is [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite
PubChem CID148549830
Molecular FormulaC25H51FO8
Molecular Weight498.67 g/mol
Exact Mass498.36
IUPAC Name[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite
SMILESCCCCOC(OCC(C)C)(OC(C)CC)C(COC)(OF)C(OCC)(OCCC)OC(C)C
InChIInChI=1S/C25H51FO8/c1-11-15-17-30-25(31-18-20(5)6,33-22(9)13-3)23(34-26,19-27-10)24(28-14-4,29-16-12-2)32-21(7)8/h20-22H,11-19H2,1-10H3
InChIKeyPOBVFBZSGDEOTI-UHFFFAOYSA-N
XLogP5.77
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite
CID 141013786
[butan-2-yloxy-(1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-1-propoxypropan-2-yl)oxy-(2-methylpropoxy)methyl] thiohypofluorite
CID 154422207
2-butoxy-1-hexoxy-1-(2-methylpropoxy)-1-pentoxy-2-propan-2-yloxyheptane;hydrate
CID 172861390
3-butoxy-2-(2-ethoxy-3-methoxybutan-2-yl)oxy-2-methyl-3-propan-2-yloxy-3-propoxypropanoic acid
CID 150942263
2-butan-2-yloxy-3-butoxy-1-heptan-2-yloxy-2-(2-methylpropoxy)-1-pentoxy-1-(3-pentoxyhexoxy)-3-propan-2-yloxyheptane;hydrate
CID 159549914
2-butoxy-2-propan-2-yloxybutane
CID 174800754
2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
CID 151701925
1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
CID 161408985
1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
CID 151582947
1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane
CID 151724219
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite?
The IUPAC name of [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite (CID 148549830) is [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite.
What is the SMILES notation for [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite?
The canonical SMILES for [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite is CCCCOC(OCC(C)C)(OC(C)CC)C(COC)(OF)C(OCC)(OCCC)OC(C)C.
What is the InChIKey of [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite?
The InChIKey is POBVFBZSGDEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FO8/c1-11-15-17-30-25(31-18-20(5)6,33-22(9)13-3)23(34-26,19-27-10)24(28-14-4,29-16-12-2)32-21(7)8/h20-22H,11-19H2,1-10H3.
What are the key properties of [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite?
[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite has a molecular weight of 498.67 g/mol, XLogP of 5.77, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite is sourced from PubChem (CID 148549830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).