5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol

C22H33F3O2 — CID 122493511

IUPAC5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C(F)(F)F
InChIInChI=1S/C22H33F3O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-19(26)13-14-20(27)21(18)22(23,24)25/h7,9,11,13-14,18-21,26-27H,5-6,8,10,12H2,1-4H3/b16-9+,17-11+
InChIKeySKYWRZHNDRASQX-BTMZFSHUSA-N
MW386.50 g/mol
LogP5.88
Rot. Bonds8

About 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol

5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol (PubChem CID 122493511) has the molecular formula C22H33F3O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol
PubChem CID122493511
Molecular FormulaC22H33F3O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C(F)(F)F
InChIInChI=1S/C22H33F3O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-19(26)13-14-20(27)21(18)22(23,24)25/h7,9,11,13-14,18-21,26-27H,5-6,8,10,12H2,1-4H3/b16-9+,17-11+
InChIKeySKYWRZHNDRASQX-BTMZFSHUSA-N
XLogP5.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol with MolForge

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Related Compounds

(1R,2E,4S,6R,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-triene-1,6-diol
CID 162897639
5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol
CID 122493497
6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
CID 122493500
5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol
CID 122493501
6-Ethyl-2-(trifluoromethyl)cyclohex-2-ene-1,4-diol
CID 158451388
(2Z)-1-(2,6-diethylcyclohex-3-en-1-yl)-2-(2,6-diethylcyclohex-3-en-1-ylidene)ethanol
CID 21549311
1-(2,6-Diethylcyclohex-3-en-1-yl)-2-(2,6-diethylcyclohex-3-en-1-ylidene)ethanol
CID 53690045
5,6-Dimethylcyclohex-2-ene-1,4-diol
CID 58010997
4-Hydroxy-5,6-dimethylcyclohex-2-en-1-olate
CID 59271488
1,5,6-Trimethylcyclohex-2-ene-1,4-diol
CID 70431994
(1S,2E,5R,6E,8S,11E)-2,8,12-trimethyl-5-propan-2-ylcyclotetradeca-2,6,11-triene-1,5-diol
CID 89791199
(1S,2E,5S,6E,8S,11E)-2,8,12-trimethyl-5-propan-2-ylcyclotetradeca-2,6,11-triene-1,5-diol
CID 89791226

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol?
The IUPAC name of 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol (CID 122493511) is 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol.
What is the SMILES notation for 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol?
The canonical SMILES for 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol?
The InChIKey is SKYWRZHNDRASQX-BTMZFSHUSA-N. The full InChI is InChI=1S/C22H33F3O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-19(26)13-14-20(27)21(18)22(23,24)25/h7,9,11,13-14,18-21,26-27H,5-6,8,10,12H2,1-4H3/b16-9+,17-11+.
What are the key properties of 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol?
5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol has a molecular weight of 386.50 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 122493511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).