(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene

C21H35F3O — CID 143367930

IUPAC(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene
SMILESC/C=C/C(C)C.C/C=C\C(C)OC.C=C/C=C\C=C(/C)CC(F)(F)F
InChIInChI=1S/C9H11F3.C6H12O.C6H12/c1-3-4-5-6-8(2)7-9(10,11)12;1-4-5-6(2)7-3;1-4-5-6(2)3/h3-6H,1,7H2,2H3;4-6H,1-3H3;4-6H,1-3H3/b5-4-,8-6+;5-4-;5-4+
InChIKeyJXYNLMJOFXSZJH-WDRNBPELSA-N
MW360.50 g/mol
LogP7.44
Rot. Bonds6

About (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene

(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene (PubChem CID 143367930) has the molecular formula C21H35F3O and a molecular weight of 360.50 g/mol. Its IUPAC name is (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene
PubChem CID143367930
Molecular FormulaC21H35F3O
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC Name(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene
SMILESC/C=C/C(C)C.C/C=C\C(C)OC.C=C/C=C\C=C(/C)CC(F)(F)F
InChIInChI=1S/C9H11F3.C6H12O.C6H12/c1-3-4-5-6-8(2)7-9(10,11)12;1-4-5-6(2)7-3;1-4-5-6(2)3/h3-6H,1,7H2,2H3;4-6H,1-3H3;4-6H,1-3H3/b5-4-,8-6+;5-4-;5-4+
InChIKeyJXYNLMJOFXSZJH-WDRNBPELSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
CID 130371096
2-Methyl-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 132095138
(3E,5E)-9,9,9-trifluoro-2-methoxy-3,8-dimethyl-5-(trifluoromethyl)nona-3,5-diene
CID 134172263
(3E,5E)-1,1,1-trifluoro-7-methoxy-2,6-dimethyl-4-(trifluoromethyl)octa-3,5-diene
CID 134172266
(3E,5E)-6-ethyl-1,1,1-trifluoro-7-methoxy-4-(trifluoromethyl)octa-3,5-diene
CID 134172329
(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
CID 134430544
2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene
CID 134449256
(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene
CID 134449364

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene?
The IUPAC name of (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene (CID 143367930) is (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene.
What is the SMILES notation for (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene?
The canonical SMILES for (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene is C/C=C/C(C)C.C/C=C\C(C)OC.C=C/C=C\C=C(/C)CC(F)(F)F.
What is the InChIKey of (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene?
The InChIKey is JXYNLMJOFXSZJH-WDRNBPELSA-N. The full InChI is InChI=1S/C9H11F3.C6H12O.C6H12/c1-3-4-5-6-8(2)7-9(10,11)12;1-4-5-6(2)7-3;1-4-5-6(2)3/h3-6H,1,7H2,2H3;4-6H,1-3H3;4-6H,1-3H3/b5-4-,8-6+;5-4-;5-4+.
What are the key properties of (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene?
(Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene has a molecular weight of 360.50 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxypent-2-ene;(E)-4-methylpent-2-ene;(3Z,5E)-8,8,8-trifluoro-6-methylocta-1,3,5-triene is sourced from PubChem (CID 143367930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).