[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite

C9H15FO — CID 170264185

IUPAC[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite
SMILESC=C(CC(C)C/C=C/C)OF
InChIInChI=1S/C9H15FO/c1-4-5-6-8(2)7-9(3)11-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyQPOZKORMCMKSOW-SNAWJCMRSA-N
MW158.22 g/mol
LogP3.39
Rot. Bonds5

About [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite

[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite (PubChem CID 170264185) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite.

Molecular Properties

Compound Name[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite
PubChem CID170264185
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite
SMILESC=C(CC(C)C/C=C/C)OF
InChIInChI=1S/C9H15FO/c1-4-5-6-8(2)7-9(3)11-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyQPOZKORMCMKSOW-SNAWJCMRSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite?
The IUPAC name of [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite (CID 170264185) is [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite.
What is the SMILES notation for [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite?
The canonical SMILES for [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite is C=C(CC(C)C/C=C/C)OF.
What is the InChIKey of [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite?
The InChIKey is QPOZKORMCMKSOW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15FO/c1-4-5-6-8(2)7-9(3)11-10/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite?
[(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite has a molecular weight of 158.22 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-4-methylocta-1,6-dien-2-yl] hypofluorite is sourced from PubChem (CID 170264185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).