5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol

C22H35FO2 — CID 122493497

IUPAC5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C)CF
InChIInChI=1S/C22H35FO2/c1-16(8-6-10-18(3)15-23)7-5-9-17(2)11-12-20-19(4)21(24)13-14-22(20)25/h7,10-11,13-14,19-22,24-25H,5-6,8-9,12,15H2,1-4H3/b16-7+,17-11+,18-10+
InChIKeyGEXMHXSLQQEOLF-HRKXERGNSA-N
MW350.52 g/mol
LogP5.29
Rot. Bonds9

About 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol

5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol (PubChem CID 122493497) has the molecular formula C22H35FO2 and a molecular weight of 350.52 g/mol. Its IUPAC name is 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol
PubChem CID122493497
Molecular FormulaC22H35FO2
Molecular Weight350.52 g/mol
Exact Mass350.26
IUPAC Name5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C)CF
InChIInChI=1S/C22H35FO2/c1-16(8-6-10-18(3)15-23)7-5-9-17(2)11-12-20-19(4)21(24)13-14-22(20)25/h7,10-11,13-14,19-22,24-25H,5-6,8-9,12,15H2,1-4H3/b16-7+,17-11+,18-10+
InChIKeyGEXMHXSLQQEOLF-HRKXERGNSA-N
XLogP5.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol with MolForge

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Related Compounds

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CID 13919075
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CID 14137219
(3r,4s,6r)-p-Menth-1-ene-3,6-diol
CID 124355566
(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
CID 163028462
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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol?
The IUPAC name of 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol (CID 122493497) is 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol.
What is the SMILES notation for 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol?
The canonical SMILES for 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol is C/C(=C\CC/C(C)=C/CC/C(C)=C/CC1C(O)C=CC(O)C1C)CF.
What is the InChIKey of 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol?
The InChIKey is GEXMHXSLQQEOLF-HRKXERGNSA-N. The full InChI is InChI=1S/C22H35FO2/c1-16(8-6-10-18(3)15-23)7-5-9-17(2)11-12-20-19(4)21(24)13-14-22(20)25/h7,10-11,13-14,19-22,24-25H,5-6,8-9,12,15H2,1-4H3/b16-7+,17-11+,18-10+.
What are the key properties of 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol?
5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol has a molecular weight of 350.52 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol is sourced from PubChem (CID 122493497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).