6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol

C19H33FO2 — CID 170232104

IUPAC6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CCCCCCCCCCOC1=CC(F)C(O)C=C1
InChIInChI=1S/C19H33FO2/c1-16(2)11-9-7-5-3-4-6-8-10-14-22-17-12-13-19(21)18(20)15-17/h12-13,15-16,18-19,21H,3-11,14H2,1-2H3
InChIKeyPPIHHWISTNMSAE-UHFFFAOYSA-N
MW312.47 g/mol
LogP5.32
Rot. Bonds12

About 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol

6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol (PubChem CID 170232104) has the molecular formula C19H33FO2 and a molecular weight of 312.47 g/mol. Its IUPAC name is 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol
PubChem CID170232104
Molecular FormulaC19H33FO2
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CCCCCCCCCCOC1=CC(F)C(O)C=C1
InChIInChI=1S/C19H33FO2/c1-16(2)11-9-7-5-3-4-6-8-10-14-22-17-12-13-19(21)18(20)15-17/h12-13,15-16,18-19,21H,3-11,14H2,1-2H3
InChIKeyPPIHHWISTNMSAE-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,7S,9S,10R,11S,12Z,14S,16S,17S,18E,20Z)-2-[(2S,3Z)-hexa-3,5-dien-2-yl]-3,7,9,11,17-pentamethyl-1-oxacyclodocosa-12,18,20-triene-4,10,14,16-tetrol
CID 44588906
1-[4-[(1E,3Z,5Z)-5,6-difluoro-4-[4-[[(2E,4E)-5-fluoro-6-propoxyhexa-2,4-dien-3-yl]oxymethyl]cyclohexyl]hepta-1,3,5-trienyl]cyclohexyl]ethanol
CID 88953656
(3Z)-4-ethyl-1-[(1S,6R)-6-ethyl-3-[[(1S)-4-fluorocyclohex-3-en-1-yl]methoxy]-4-propylcyclohex-3-en-1-yl]oxy-2-methylidenehexa-3,5-dien-1-ol
CID 118427747
(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
(7E,11Z,15Z)-17-but-3-enoxy-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylideneoctadeca-7,11,15,17-tetraen-2-ol
CID 143773029
[6-[(1E)-2-(2,4-dimethylpyran-3-yl)buta-1,3-dienyl]-5-methylcyclohexa-1,5-dien-1-yl]-(4-fluoro-4-methylcyclohexyl)methanol
CID 144710226
(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol
CID 145107628
2-Fluoro-4-(10-methylundecoxy)cyclohexa-1,5-dien-1-ol
CID 169989442
(6S)-6-fluoro-4-[(1R,3S)-3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexa-2,4-dien-1-ol
CID 170049687
4-(11-Hydroxyundecoxy)-6-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 170049760
(3Z)-2-ethoxy-3,4-difluoro-7,10-dimethyl-5-methylidenetetradeca-1,3-dien-6-ol
CID 178586058
(3Z)-3,4-difluoro-2-methoxy-7,10,11,14-tetramethyl-5-methylideneoctadeca-1,3-dien-6-ol
CID 178586141

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol (CID 170232104) is 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol is CC(C)CCCCCCCCCCOC1=CC(F)C(O)C=C1.
What is the InChIKey of 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol?
The InChIKey is PPIHHWISTNMSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO2/c1-16(2)11-9-7-5-3-4-6-8-10-14-22-17-12-13-19(21)18(20)15-17/h12-13,15-16,18-19,21H,3-11,14H2,1-2H3.
What are the key properties of 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol?
6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol has a molecular weight of 312.47 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(11-methyldodecoxy)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 170232104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).