(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene

C10H16F2O — CID 134430544

IUPAC(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
SMILESC/C=C(OC(F)F)\C(C)=C/C(C)C
InChIInChI=1S/C10H16F2O/c1-5-9(13-10(11)12)8(4)6-7(2)3/h5-7,10H,1-4H3/b8-6-,9-5+
InChIKeyVDBOKHKFHIQLRA-POEMVANMSA-N
MW190.23 g/mol
LogP3.73
Rot. Bonds4

About (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene

(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene (PubChem CID 134430544) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
PubChem CID134430544
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
SMILESC/C=C(OC(F)F)\C(C)=C/C(C)C
InChIInChI=1S/C10H16F2O/c1-5-9(13-10(11)12)8(4)6-7(2)3/h5-7,10H,1-4H3/b8-6-,9-5+
InChIKeyVDBOKHKFHIQLRA-POEMVANMSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene (CID 134430544) is (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene is C/C=C(OC(F)F)\C(C)=C/C(C)C.
What is the InChIKey of (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene?
The InChIKey is VDBOKHKFHIQLRA-POEMVANMSA-N. The full InChI is InChI=1S/C10H16F2O/c1-5-9(13-10(11)12)8(4)6-7(2)3/h5-7,10H,1-4H3/b8-6-,9-5+.
What are the key properties of (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene?
(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene has a molecular weight of 190.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene is sourced from PubChem (CID 134430544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).