(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene

C14H22F3O+ — CID 91350646

IUPAC(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene
SMILESCOC/C=C(\C=C/C(C)C(F)(F)F)C(C)[C+](C)C
InChIInChI=1S/C14H22F3O/c1-10(2)12(4)13(8-9-18-5)7-6-11(3)14(15,16)17/h6-8,11-12H,9H2,1-5H3/q+1/b7-6-,13-8+
InChIKeyHIJAWQOYCVSDFD-ONVRAGQBSA-N
MW263.32 g/mol
LogP4.56
Rot. Bonds6

About (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene

(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene (PubChem CID 91350646) has the molecular formula C14H22F3O+ and a molecular weight of 263.32 g/mol. Its IUPAC name is (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene.

Molecular Properties

Compound Name(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene
PubChem CID91350646
Molecular FormulaC14H22F3O+
Molecular Weight263.32 g/mol
Exact Mass263.16
IUPAC Name(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene
SMILESCOC/C=C(\C=C/C(C)C(F)(F)F)C(C)[C+](C)C
InChIInChI=1S/C14H22F3O/c1-10(2)12(4)13(8-9-18-5)7-6-11(3)14(15,16)17/h6-8,11-12H,9H2,1-5H3/q+1/b7-6-,13-8+
InChIKeyHIJAWQOYCVSDFD-ONVRAGQBSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene?
The IUPAC name of (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene (CID 91350646) is (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene.
What is the SMILES notation for (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene?
The canonical SMILES for (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene is COC/C=C(\C=C/C(C)C(F)(F)F)C(C)[C+](C)C.
What is the InChIKey of (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene?
The InChIKey is HIJAWQOYCVSDFD-ONVRAGQBSA-N. The full InChI is InChI=1S/C14H22F3O/c1-10(2)12(4)13(8-9-18-5)7-6-11(3)14(15,16)17/h6-8,11-12H,9H2,1-5H3/q+1/b7-6-,13-8+.
What are the key properties of (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene?
(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene has a molecular weight of 263.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene is sourced from PubChem (CID 91350646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).