(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene

C10H16F2O — CID 143342131

IUPAC(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene
SMILESCC/C=C(\C=C(/C)CC)OC(F)F
InChIInChI=1S/C10H16F2O/c1-4-6-9(13-10(11)12)7-8(3)5-2/h6-7,10H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyRDNZMCFRNQQRIZ-KHHFIZIMSA-N
MW190.23 g/mol
LogP3.88
Rot. Bonds5

About (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene

(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene (PubChem CID 143342131) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene
PubChem CID143342131
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene
SMILESCC/C=C(\C=C(/C)CC)OC(F)F
InChIInChI=1S/C10H16F2O/c1-4-6-9(13-10(11)12)7-8(3)5-2/h6-7,10H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyRDNZMCFRNQQRIZ-KHHFIZIMSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.88
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 (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene?
The IUPAC name of (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene (CID 143342131) is (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene?
The canonical SMILES for (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene is CC/C=C(\C=C(/C)CC)OC(F)F.
What is the InChIKey of (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene?
The InChIKey is RDNZMCFRNQQRIZ-KHHFIZIMSA-N. The full InChI is InChI=1S/C10H16F2O/c1-4-6-9(13-10(11)12)7-8(3)5-2/h6-7,10H,4-5H2,1-3H3/b8-7+,9-6+.
What are the key properties of (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene?
(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene has a molecular weight of 190.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene is sourced from PubChem (CID 143342131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).