(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene

C10H15F3O — CID 138465031

IUPAC(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene
SMILESCC/C=C(\C=C/C(C)C(F)(F)F)OC
InChIInChI=1S/C10H15F3O/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-8H,4H2,1-3H3/b7-6-,9-5+
InChIKeyMIMGWSJHRKMBFD-QRLJIZSYSA-N
MW208.22 g/mol
LogP3.68
Rot. Bonds4

About (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene

(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene (PubChem CID 138465031) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene
PubChem CID138465031
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene
SMILESCC/C=C(\C=C/C(C)C(F)(F)F)OC
InChIInChI=1S/C10H15F3O/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-8H,4H2,1-3H3/b7-6-,9-5+
InChIKeyMIMGWSJHRKMBFD-QRLJIZSYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene?
The IUPAC name of (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene (CID 138465031) is (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene?
The canonical SMILES for (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene is CC/C=C(\C=C/C(C)C(F)(F)F)OC.
What is the InChIKey of (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene?
The InChIKey is MIMGWSJHRKMBFD-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-8H,4H2,1-3H3/b7-6-,9-5+.
What are the key properties of (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene?
(3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene has a molecular weight of 208.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1,1,1-trifluoro-5-methoxy-2-methylocta-3,5-diene is sourced from PubChem (CID 138465031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).