(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene

C14H24F2O2 — CID 166654894

IUPAC(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene
SMILESCCCCCO/C(C)=C/C=C(\C)CCOC(F)F
InChIInChI=1S/C14H24F2O2/c1-4-5-6-10-17-13(3)8-7-12(2)9-11-18-14(15)16/h7-8,14H,4-6,9-11H2,1-3H3/b12-7+,13-8+
InChIKeyPIDKBRXQJKHDJR-INOXDZRUSA-N
MW262.34 g/mol
LogP4.67
Rot. Bonds10

About (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene

(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene (PubChem CID 166654894) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene
PubChem CID166654894
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene
SMILESCCCCCO/C(C)=C/C=C(\C)CCOC(F)F
InChIInChI=1S/C14H24F2O2/c1-4-5-6-10-17-13(3)8-7-12(2)9-11-18-14(15)16/h7-8,14H,4-6,9-11H2,1-3H3/b12-7+,13-8+
InChIKeyPIDKBRXQJKHDJR-INOXDZRUSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene?
The IUPAC name of (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene (CID 166654894) is (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene.
What is the SMILES notation for (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene?
The canonical SMILES for (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene is CCCCCO/C(C)=C/C=C(\C)CCOC(F)F.
What is the InChIKey of (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene?
The InChIKey is PIDKBRXQJKHDJR-INOXDZRUSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-4-5-6-10-17-13(3)8-7-12(2)9-11-18-14(15)16/h7-8,14H,4-6,9-11H2,1-3H3/b12-7+,13-8+.
What are the key properties of (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene?
(2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene has a molecular weight of 262.34 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-(difluoromethoxy)-5-methyl-2-pentoxyhepta-2,4-diene is sourced from PubChem (CID 166654894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).