5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran

C16H23F3O — CID 176958425

IUPAC5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran
SMILESCC/C=C(/C=C\C1=C(C)COCC1C(C)C)C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-5-6-13(16(17,18)19)7-8-14-12(4)9-20-10-15(14)11(2)3/h6-8,11,15H,5,9-10H2,1-4H3/b8-7-,13-6-
InChIKeyBYDZVKZVGIWNLJ-WLEWVHITSA-N
MW288.35 g/mol
LogP5.06
Rot. Bonds4

About 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran

5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran (PubChem CID 176958425) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran
PubChem CID176958425
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran
SMILESCC/C=C(/C=C\C1=C(C)COCC1C(C)C)C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-5-6-13(16(17,18)19)7-8-14-12(4)9-20-10-15(14)11(2)3/h6-8,11,15H,5,9-10H2,1-4H3/b8-7-,13-6-
InChIKeyBYDZVKZVGIWNLJ-WLEWVHITSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-(1,1,2,2,3,3,4-Heptafluorobutoxy)-2-(4-pentylcyclohexen-1-yl)cyclohexa-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran (CID 176958425) is 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran is CC/C=C(/C=C\C1=C(C)COCC1C(C)C)C(F)(F)F.
What is the InChIKey of 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran?
The InChIKey is BYDZVKZVGIWNLJ-WLEWVHITSA-N. The full InChI is InChI=1S/C16H23F3O/c1-5-6-13(16(17,18)19)7-8-14-12(4)9-20-10-15(14)11(2)3/h6-8,11,15H,5,9-10H2,1-4H3/b8-7-,13-6-.
What are the key properties of 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran?
5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran has a molecular weight of 288.35 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-4-[(1Z,3Z)-3-(trifluoromethyl)hexa-1,3-dienyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 176958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).