(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene

C15H24F2O2 — CID 144515566

IUPAC(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCCC(F)(F)COC/C(C)=C\CC1
InChIInChI=1S/C15H24F2O2/c1-13-7-6-9-14(18-2)8-4-3-5-10-15(16,17)12-19-11-13/h4,7-8,14H,3,5-6,9-12H2,1-2H3/b8-4+,13-7-
InChIKeySVRLRBMLYOKXMY-PAMGWAGSSA-N
MW274.35 g/mol
LogP4.12
Rot. Bonds1

About (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene

(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene (PubChem CID 144515566) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene.

Molecular Properties

Compound Name(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene
PubChem CID144515566
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCCC(F)(F)COC/C(C)=C\CC1
InChIInChI=1S/C15H24F2O2/c1-13-7-6-9-14(18-2)8-4-3-5-10-15(16,17)12-19-11-13/h4,7-8,14H,3,5-6,9-12H2,1-2H3/b8-4+,13-7-
InChIKeySVRLRBMLYOKXMY-PAMGWAGSSA-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'}

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Related Compounds

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CID 89301083
1-Ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene
CID 90967116
1-[(2,2-Difluoro-3-propan-2-yloxypropoxy)methyl]-4-ethenylcyclohepta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene?
The IUPAC name of (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene (CID 144515566) is (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene.
What is the SMILES notation for (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene?
The canonical SMILES for (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene is COC1/C=C/CCCC(F)(F)COC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene?
The InChIKey is SVRLRBMLYOKXMY-PAMGWAGSSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-13-7-6-9-14(18-2)8-4-3-5-10-15(16,17)12-19-11-13/h4,7-8,14H,3,5-6,9-12H2,1-2H3/b8-4+,13-7-.
What are the key properties of (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene?
(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-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 (7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene is sourced from PubChem (CID 144515566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).