(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene

C15H24F2O2 — CID 144515546

IUPAC(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCC(F)(F)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H24F2O2/c1-13-6-5-8-14(18-2)7-3-4-9-15(16,17)10-11-19-12-13/h3,6-7,14H,4-5,8-12H2,1-2H3/b7-3+,13-6-
InChIKeyFZYVSMLNNSFLDB-UMCNWUEJSA-N
MW274.35 g/mol
LogP4.12
Rot. Bonds1

About (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene

(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene (PubChem CID 144515546) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene.

Molecular Properties

Compound Name(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
PubChem CID144515546
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCC(F)(F)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H24F2O2/c1-13-6-5-8-14(18-2)7-3-4-9-15(16,17)10-11-19-12-13/h3,6-7,14H,4-5,8-12H2,1-2H3/b7-3+,13-6-
InChIKeyFZYVSMLNNSFLDB-UMCNWUEJSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene with MolForge

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Related Compounds

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CID 89301083
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Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene?
The IUPAC name of (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene (CID 144515546) is (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene.
What is the SMILES notation for (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene?
The canonical SMILES for (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene is COC1/C=C/CCC(F)(F)CCOC/C(C)=C\CC1.
What is the InChIKey of (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene?
The InChIKey is FZYVSMLNNSFLDB-UMCNWUEJSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-13-6-5-8-14(18-2)7-3-4-9-15(16,17)10-11-19-12-13/h3,6-7,14H,4-5,8-12H2,1-2H3/b7-3+,13-6-.
What are the key properties of (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene?
(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene has a molecular weight of 274.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene is sourced from PubChem (CID 144515546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).