1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane

C15H26F2O — CID 58275577

IUPAC1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(C/C=C/C(F)(F)C(C)C)CCC1
InChIInChI=1S/C15H26F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h6,10,12-13H,5,7-9,11H2,1-4H3/b10-6+
InChIKeyPWDHKQKNHBELRU-UXBLZVDNSA-N
MW260.37 g/mol
LogP4.82
Rot. Bonds7

About 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane

1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 58275577) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID58275577
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(C/C=C/C(F)(F)C(C)C)CCC1
InChIInChI=1S/C15H26F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h6,10,12-13H,5,7-9,11H2,1-4H3/b10-6+
InChIKeyPWDHKQKNHBELRU-UXBLZVDNSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane (CID 58275577) is 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(C/C=C/C(F)(F)C(C)C)CCC1.
What is the InChIKey of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is PWDHKQKNHBELRU-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H26F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h6,10,12-13H,5,7-9,11H2,1-4H3/b10-6+.
What are the key properties of 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane?
1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 260.37 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 58275577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).