6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol

C24H39FO3 — CID 137448023

IUPAC6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol
SMILESCOC1=C(OC)C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CF)C(C)C1
InChIInChI=1S/C24H39FO3/c1-17(10-8-12-19(3)16-25)9-7-11-18(2)13-14-21-20(4)15-22(27-5)24(28-6)23(21)26/h9,12-13,20-21,23,26H,7-8,10-11,14-16H2,1-6H3/b17-9+,18-13+,19-12+
InChIKeyXEGMFWPDWFFHOZ-FFGSEWCMSA-N
MW394.57 g/mol
LogP6.27
Rot. Bonds11

About 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol

6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol (PubChem CID 137448023) has the molecular formula C24H39FO3 and a molecular weight of 394.57 g/mol. Its IUPAC name is 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol
PubChem CID137448023
Molecular FormulaC24H39FO3
Molecular Weight394.57 g/mol
Exact Mass394.29
IUPAC Name6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol
SMILESCOC1=C(OC)C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CF)C(C)C1
InChIInChI=1S/C24H39FO3/c1-17(10-8-12-19(3)16-25)9-7-11-18(2)13-14-21-20(4)15-22(27-5)24(28-6)23(21)26/h9,12-13,20-21,23,26H,7-8,10-11,14-16H2,1-6H3/b17-9+,18-13+,19-12+
InChIKeyXEGMFWPDWFFHOZ-FFGSEWCMSA-N
XLogP6.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol?
The IUPAC name of 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol (CID 137448023) is 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol?
The canonical SMILES for 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol is COC1=C(OC)C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CF)C(C)C1.
What is the InChIKey of 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol?
The InChIKey is XEGMFWPDWFFHOZ-FFGSEWCMSA-N. The full InChI is InChI=1S/C24H39FO3/c1-17(10-8-12-19(3)16-25)9-7-11-18(2)13-14-21-20(4)15-22(27-5)24(28-6)23(21)26/h9,12-13,20-21,23,26H,7-8,10-11,14-16H2,1-6H3/b17-9+,18-13+,19-12+.
What are the key properties of 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol?
6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol has a molecular weight of 394.57 g/mol, XLogP of 6.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 137448023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).