(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol

C30H51FOSi — CID 10412645

IUPAC(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CC/C(F)=C(\C)CC/C(C)=C\CC(C)(C)CC#CC[Si](C)(C)C
InChIInChI=1S/C30H51FOSi/c1-24(2)29(32)19-17-25(3)14-13-15-28(31)27(5)18-16-26(4)20-22-30(6,7)21-11-12-23-33(8,9)10/h14,20,29,32H,1,13,15-19,21-23H2,2-10H3/b25-14+,26-20-,28-27-
InChIKeyAZQBUZAFZPWCJK-GDDBSIPBSA-N
MW474.82 g/mol
LogP9.55
Rot. Bonds14

About (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol

(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol (PubChem CID 10412645) has the molecular formula C30H51FOSi and a molecular weight of 474.82 g/mol. Its IUPAC name is (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol.

Molecular Properties

Compound Name(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol
PubChem CID10412645
Molecular FormulaC30H51FOSi
Molecular Weight474.82 g/mol
Exact Mass474.37
IUPAC Name(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CC/C(F)=C(\C)CC/C(C)=C\CC(C)(C)CC#CC[Si](C)(C)C
InChIInChI=1S/C30H51FOSi/c1-24(2)29(32)19-17-25(3)14-13-15-28(31)27(5)18-16-26(4)20-22-30(6,7)21-11-12-23-33(8,9)10/h14,20,29,32H,1,13,15-19,21-23H2,2-10H3/b25-14+,26-20-,28-27-
InChIKeyAZQBUZAFZPWCJK-GDDBSIPBSA-N
XLogP9.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol?
The IUPAC name of (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol (CID 10412645) is (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol.
What is the SMILES notation for (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol?
The canonical SMILES for (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol is C=C(C)C(O)CC/C(C)=C/CC/C(F)=C(\C)CC/C(C)=C\CC(C)(C)CC#CC[Si](C)(C)C.
What is the InChIKey of (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol?
The InChIKey is AZQBUZAFZPWCJK-GDDBSIPBSA-N. The full InChI is InChI=1S/C30H51FOSi/c1-24(2)29(32)19-17-25(3)14-13-15-28(31)27(5)18-16-26(4)20-22-30(6,7)21-11-12-23-33(8,9)10/h14,20,29,32H,1,13,15-19,21-23H2,2-10H3/b25-14+,26-20-,28-27-.
What are the key properties of (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol?
(6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol has a molecular weight of 474.82 g/mol, XLogP of 9.55, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10Z,14Z)-10-fluoro-2,6,11,14,17,17-hexamethyl-21-trimethylsilylhenicosa-1,6,10,14-tetraen-19-yn-3-ol is sourced from PubChem (CID 10412645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).