(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene

C19H25F3O2 — CID 138632140

IUPAC(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=CC/C=C(/COC(/C=C\C)=C(/C=C)C(F)(F)F)C(=C)OCCC
InChIInChI=1S/C19H25F3O2/c1-6-10-12-16(15(5)23-13-8-3)14-24-18(11-7-2)17(9-4)19(20,21)22/h6-7,9,11-12H,1,4-5,8,10,13-14H2,2-3H3/b11-7-,16-12-,18-17-
InChIKeyPNHKWWVRCLHEOE-YEJSOXOQSA-N
MW342.40 g/mol
LogP6.02
Rot. Bonds11

About (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene

(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 138632140) has the molecular formula C19H25F3O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID138632140
Molecular FormulaC19H25F3O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=CC/C=C(/COC(/C=C\C)=C(/C=C)C(F)(F)F)C(=C)OCCC
InChIInChI=1S/C19H25F3O2/c1-6-10-12-16(15(5)23-13-8-3)14-24-18(11-7-2)17(9-4)19(20,21)22/h6-7,9,11-12H,1,4-5,8,10,13-14H2,2-3H3/b11-7-,16-12-,18-17-
InChIKeyPNHKWWVRCLHEOE-YEJSOXOQSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene (CID 138632140) is (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene is C=CC/C=C(/COC(/C=C\C)=C(/C=C)C(F)(F)F)C(=C)OCCC.
What is the InChIKey of (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is PNHKWWVRCLHEOE-YEJSOXOQSA-N. The full InChI is InChI=1S/C19H25F3O2/c1-6-10-12-16(15(5)23-13-8-3)14-24-18(11-7-2)17(9-4)19(20,21)22/h6-7,9,11-12H,1,4-5,8,10,13-14H2,2-3H3/b11-7-,16-12-,18-17-.
What are the key properties of (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene?
(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 342.40 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 138632140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).