6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol

C24H39FO2 — CID 122493500

IUPAC6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
SMILESCCCOC1C=CC(O)C(F)C1C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H39FO2/c1-6-17-27-23-16-15-22(26)24(25)21(23)14-13-20(5)12-8-11-19(4)10-7-9-18(2)3/h9,11,13,15-16,21-24,26H,6-8,10,12,14,17H2,1-5H3/b19-11+,20-13+
InChIKeySXEXLCUNQDSMCW-UFTLRZAHSA-N
MW378.57 g/mol
LogP6.48
Rot. Bonds11

About 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol

6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol (PubChem CID 122493500) has the molecular formula C24H39FO2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
PubChem CID122493500
Molecular FormulaC24H39FO2
Molecular Weight378.57 g/mol
Exact Mass378.29
IUPAC Name6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
SMILESCCCOC1C=CC(O)C(F)C1C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H39FO2/c1-6-17-27-23-16-15-22(26)24(25)21(23)14-13-20(5)12-8-11-19(4)10-7-9-18(2)3/h9,11,13,15-16,21-24,26H,6-8,10,12,14,17H2,1-5H3/b19-11+,20-13+
InChIKeySXEXLCUNQDSMCW-UFTLRZAHSA-N
XLogP6.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-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

Related Compounds

5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-methylcyclohex-2-ene-1,4-diol
CID 122493497
5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol
CID 122493501
5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol
CID 122493511
(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol
CID 143772621
(3Z,7E,11Z)-7-fluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-3-(2-prop-2-enoxyethyl)octadeca-1,3,7,11-tetraen-2-ol
CID 145122797
(E)-2-methyl-3-[(2S,4R)-4-methyloxan-2-yl]prop-2-en-1-ol
CID 101921648
(E)-2-methyl-3-[(2R,4R)-4-methyloxan-2-yl]prop-2-en-1-ol
CID 101921650
2-Methyl-3-(4-methyloxan-2-yl)prop-2-en-1-ol
CID 53976595
3-Ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol
CID 59229171
4-butoxy-3-[(E)-7-hydroxy-7-methyldec-2-enyl]-5,6-dimethylcyclohex-2-en-1-ol
CID 59229215
4-butoxy-3-[(E)-7-hydroxy-7-methyldec-2-enyl]-5,6-dimethylcyclohex-2-en-1-ol
CID 59229216
4-butoxy-3-[(E)-7-hydroxy-7-methanidyloct-2-enyl]-5,6-dimethylcyclohex-2-en-1-ol
CID 59229219

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol?
The IUPAC name of 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol (CID 122493500) is 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol?
The canonical SMILES for 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol is CCCOC1C=CC(O)C(F)C1C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol?
The InChIKey is SXEXLCUNQDSMCW-UFTLRZAHSA-N. The full InChI is InChI=1S/C24H39FO2/c1-6-17-27-23-16-15-22(26)24(25)21(23)14-13-20(5)12-8-11-19(4)10-7-9-18(2)3/h9,11,13,15-16,21-24,26H,6-8,10,12,14,17H2,1-5H3/b19-11+,20-13+.
What are the key properties of 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol?
6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol has a molecular weight of 378.57 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-propoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 122493500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).