[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite

C16H33FO4 — CID 141013786

IUPAC[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite
SMILESCCCCOC(OCC(C)C)(OC(C)CC)C(C)(C)OF
InChIInChI=1S/C16H33FO4/c1-8-10-11-18-16(15(6,7)21-17,19-12-13(3)4)20-14(5)9-2/h13-14H,8-12H2,1-7H3
InChIKeyXNTUCAIIIXIXDS-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.62
Rot. Bonds12

About [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite

[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite (PubChem CID 141013786) has the molecular formula C16H33FO4 and a molecular weight of 308.43 g/mol. Its IUPAC name is [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite
PubChem CID141013786
Molecular FormulaC16H33FO4
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite
SMILESCCCCOC(OCC(C)C)(OC(C)CC)C(C)(C)OF
InChIInChI=1S/C16H33FO4/c1-8-10-11-18-16(15(6,7)21-17,19-12-13(3)4)20-14(5)9-2/h13-14H,8-12H2,1-7H3
InChIKeyXNTUCAIIIXIXDS-UHFFFAOYSA-N
XLogP4.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite
CID 148549830
[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
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
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane
CID 173202051
2-butoxy-2-propan-2-yloxybutane
CID 174800754
2,8-dimethyl-2-octoxynonan-4-amine
CID 167249393
[6-butoxy-6-(2-methylpropoxy)-6-pentoxyhexyl] methyl carbonate
CID 151730310
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
CID 87588712
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
3-butoxy-3-methylpentan-2-ol
CID 175045885

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite?
The IUPAC name of [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite (CID 141013786) is [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite.
What is the SMILES notation for [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite?
The canonical SMILES for [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite is CCCCOC(OCC(C)C)(OC(C)CC)C(C)(C)OF.
What is the InChIKey of [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite?
The InChIKey is XNTUCAIIIXIXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FO4/c1-8-10-11-18-16(15(6,7)21-17,19-12-13(3)4)20-14(5)9-2/h13-14H,8-12H2,1-7H3.
What are the key properties of [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite?
[1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite has a molecular weight of 308.43 g/mol, XLogP of 4.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-yloxy-1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-yl] hypofluorite is sourced from PubChem (CID 141013786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).