(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene

C10H14F2O — CID 142904545

IUPAC(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene
SMILESC=CC(/C=C(C)\C=C/C)OC(F)F
InChIInChI=1S/C10H14F2O/c1-4-6-8(3)7-9(5-2)13-10(11)12/h4-7,9-10H,2H2,1,3H3/b6-4-,8-7-
InChIKeyOVGRKGAKZYKNHW-MOIRPGTBSA-N
MW188.22 g/mol
LogP3.30
Rot. Bonds5

About (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene

(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene (PubChem CID 142904545) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene.

Molecular Properties

Compound Name(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene
PubChem CID142904545
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene
SMILESC=CC(/C=C(C)\C=C/C)OC(F)F
InChIInChI=1S/C10H14F2O/c1-4-6-8(3)7-9(5-2)13-10(11)12/h4-7,9-10H,2H2,1,3H3/b6-4-,8-7-
InChIKeyOVGRKGAKZYKNHW-MOIRPGTBSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?
The IUPAC name of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene (CID 142904545) is (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene.
What is the SMILES notation for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?
The canonical SMILES for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene is C=CC(/C=C(C)\C=C/C)OC(F)F.
What is the InChIKey of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?
The InChIKey is OVGRKGAKZYKNHW-MOIRPGTBSA-N. The full InChI is InChI=1S/C10H14F2O/c1-4-6-8(3)7-9(5-2)13-10(11)12/h4-7,9-10H,2H2,1,3H3/b6-4-,8-7-.
What are the key properties of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?
(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene has a molecular weight of 188.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene is sourced from PubChem (CID 142904545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).