(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene

C13H19F3O2 — CID 138517351

IUPAC(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene
SMILESC/C=C(\C=C/C(C)(C)OC(C)C)OC(F)=C(F)F
InChIInChI=1S/C13H19F3O2/c1-6-10(17-12(16)11(14)15)7-8-13(4,5)18-9(2)3/h6-9H,1-5H3/b8-7-,10-6+
InChIKeyJCVWDMJFQQJKLK-SDHBEMGISA-N
MW264.29 g/mol
LogP4.70
Rot. Bonds6

About (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene

(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene (PubChem CID 138517351) has the molecular formula C13H19F3O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene
PubChem CID138517351
Molecular FormulaC13H19F3O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene
SMILESC/C=C(\C=C/C(C)(C)OC(C)C)OC(F)=C(F)F
InChIInChI=1S/C13H19F3O2/c1-6-10(17-12(16)11(14)15)7-8-13(4,5)18-9(2)3/h6-9H,1-5H3/b8-7-,10-6+
InChIKeyJCVWDMJFQQJKLK-SDHBEMGISA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene?
The IUPAC name of (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene (CID 138517351) is (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene?
The canonical SMILES for (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene is C/C=C(\C=C/C(C)(C)OC(C)C)OC(F)=C(F)F.
What is the InChIKey of (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene?
The InChIKey is JCVWDMJFQQJKLK-SDHBEMGISA-N. The full InChI is InChI=1S/C13H19F3O2/c1-6-10(17-12(16)11(14)15)7-8-13(4,5)18-9(2)3/h6-9H,1-5H3/b8-7-,10-6+.
What are the key properties of (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene?
(2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene has a molecular weight of 264.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methyl-6-propan-2-yloxy-3-(1,2,2-trifluoroethenoxy)hepta-2,4-diene is sourced from PubChem (CID 138517351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).