(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol

C26H47FO — CID 145234988

IUPAC(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)O)C(C)CCC(C)CC
InChIInChI=1S/C26H47FO/c1-10-18(2)11-12-21(5)23(7)17-26(27)25(9)22(6)14-13-19(3)20(4)15-16-24(8)28/h17-22,24,28H,7,9-16H2,1-6,8H3/b26-17+
InChIKeyOHNGDGIBROVKJC-YZSQISJMSA-N
MW394.66 g/mol
LogP8.26
Rot. Bonds15

About (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol

(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol (PubChem CID 145234988) has the molecular formula C26H47FO and a molecular weight of 394.66 g/mol. Its IUPAC name is (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol.

Molecular Properties

Compound Name(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
PubChem CID145234988
Molecular FormulaC26H47FO
Molecular Weight394.66 g/mol
Exact Mass394.36
IUPAC Name(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)O)C(C)CCC(C)CC
InChIInChI=1S/C26H47FO/c1-10-18(2)11-12-21(5)23(7)17-26(27)25(9)22(6)14-13-19(3)20(4)15-16-24(8)28/h17-22,24,28H,7,9-16H2,1-6,8H3/b26-17+
InChIKeyOHNGDGIBROVKJC-YZSQISJMSA-N
XLogP8.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.66
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol with MolForge

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Related Compounds

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CID 142281394
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
CID 142297576
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
1-amino-2,5-dimethylheptan-1-ol
CID 123488393

Frequently Asked Questions

What is the IUPAC name of (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol?
The IUPAC name of (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol (CID 145234988) is (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol.
What is the SMILES notation for (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol?
The canonical SMILES for (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol is C=C(/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)O)C(C)CCC(C)CC.
What is the InChIKey of (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol?
The InChIKey is OHNGDGIBROVKJC-YZSQISJMSA-N. The full InChI is InChI=1S/C26H47FO/c1-10-18(2)11-12-21(5)23(7)17-26(27)25(9)22(6)14-13-19(3)20(4)15-16-24(8)28/h17-22,24,28H,7,9-16H2,1-6,8H3/b26-17+.
What are the key properties of (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol?
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol has a molecular weight of 394.66 g/mol, XLogP of 8.26, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol is sourced from PubChem (CID 145234988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).