(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene

C16H23F3O2 — CID 144457143

IUPAC(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
SMILESC/C/1=C/CC[C@H](/C=C/CC/C(=C/COC1)/C(F)(F)F)OC
InChIInChI=1S/C16H23F3O2/c1-13-6-5-9-15(20-2)8-4-3-7-14(16(17,18)19)10-11-21-12-13/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3/b8-4+,13-6-,14-10-/t15-/m0/s1
InChIKeyPUHVQWMOYDOQLF-VUCZEJLWSA-N
MW304.35 g/mol
LogP3.20
Rot. Bonds1

About (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene

(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene (PubChem CID 144457143) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene.

Molecular Properties

Compound Name(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
PubChem CID144457143
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
SMILESC/C/1=C/CC[C@H](/C=C/CC/C(=C/COC1)/C(F)(F)F)OC
InChIInChI=1S/C16H23F3O2/c1-13-6-5-9-15(20-2)8-4-3-7-14(16(17,18)19)10-11-21-12-13/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3/b8-4+,13-6-,14-10-/t15-/m0/s1
InChIKeyPUHVQWMOYDOQLF-VUCZEJLWSA-N
XLogP3.20
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity395

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene?
The IUPAC name of (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene (CID 144457143) is (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene.
What is the SMILES notation for (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene?
The canonical SMILES for (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene is C/C/1=C/CC[C@H](/C=C/CC/C(=C/COC1)/C(F)(F)F)OC.
What is the InChIKey of (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene?
The InChIKey is PUHVQWMOYDOQLF-VUCZEJLWSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-13-6-5-9-15(20-2)8-4-3-7-14(16(17,18)19)10-11-21-12-13/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3/b8-4+,13-6-,14-10-/t15-/m0/s1.
What are the key properties of (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene?
(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene has a molecular weight of 304.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene is sourced from PubChem (CID 144457143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).