(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene

C12H19FO — CID 130371096

IUPAC(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C\COC(C)C)CC
InChIInChI=1S/C12H19FO/c1-5-12(7-6-11(4)13)8-9-14-10(2)3/h6-8,10H,4-5,9H2,1-3H3/b7-6-,12-8+
InChIKeyVYLZKRQBKIHRTG-UGLNBITBSA-N
MW198.28 g/mol
LogP3.79
Rot. Bonds6

About (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene

(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene (PubChem CID 130371096) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
PubChem CID130371096
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C\COC(C)C)CC
InChIInChI=1S/C12H19FO/c1-5-12(7-6-11(4)13)8-9-14-10(2)3/h6-8,10H,4-5,9H2,1-3H3/b7-6-,12-8+
InChIKeyVYLZKRQBKIHRTG-UGLNBITBSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene (CID 130371096) is (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene is C=C(F)/C=C\C(=C\COC(C)C)CC.
What is the InChIKey of (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene?
The InChIKey is VYLZKRQBKIHRTG-UGLNBITBSA-N. The full InChI is InChI=1S/C12H19FO/c1-5-12(7-6-11(4)13)8-9-14-10(2)3/h6-8,10H,4-5,9H2,1-3H3/b7-6-,12-8+.
What are the key properties of (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene?
(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene has a molecular weight of 198.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene is sourced from PubChem (CID 130371096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).