[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite

C12H25FO3 — CID 170030162

IUPAC[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
SMILESCOC(C)(C)CCOC(C)(C)CCCOF
InChIInChI=1S/C12H25FO3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-16-13/h6-10H2,1-5H3
InChIKeyCWQFRYUCFVUZMH-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.28
Rot. Bonds9

About [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite

[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite (PubChem CID 170030162) has the molecular formula C12H25FO3 and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
PubChem CID170030162
Molecular FormulaC12H25FO3
Molecular Weight236.33 g/mol
Exact Mass236.18
IUPAC Name[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
SMILESCOC(C)(C)CCOC(C)(C)CCCOF
InChIInChI=1S/C12H25FO3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-16-13/h6-10H2,1-5H3
InChIKeyCWQFRYUCFVUZMH-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite?
The IUPAC name of [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite (CID 170030162) is [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite.
What is the SMILES notation for [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite?
The canonical SMILES for [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite is COC(C)(C)CCOC(C)(C)CCCOF.
What is the InChIKey of [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite?
The InChIKey is CWQFRYUCFVUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO3/c1-11(2,14-5)8-10-15-12(3,4)7-6-9-16-13/h6-10H2,1-5H3.
What are the key properties of [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite?
[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite has a molecular weight of 236.33 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite is sourced from PubChem (CID 170030162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).