(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol

C22H33F11O2Si — CID 162538236

IUPAC(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol
SMILESC=CCC(O)C(C)C(O[Si](C(C)C)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C(C)=C/C
InChIInChI=1S/C22H33F11O2Si/c1-9-11-16(34)15(8)17(14(7)10-2)35-36(12(3)4,13(5)6)22(32,33)20(27,28)18(23,24)19(25,26)21(29,30)31/h9-10,12-13,15-17,34H,1,11H2,2-8H3/b14-10+
InChIKeyQYDIAQONBBMZNI-GXDHUFHOSA-N
MW566.57 g/mol
LogP8.32
Rot. Bonds13

About (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol

(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol (PubChem CID 162538236) has the molecular formula C22H33F11O2Si and a molecular weight of 566.57 g/mol. Its IUPAC name is (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol
PubChem CID162538236
Molecular FormulaC22H33F11O2Si
Molecular Weight566.57 g/mol
Exact Mass566.21
IUPAC Name(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol
SMILESC=CCC(O)C(C)C(O[Si](C(C)C)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C(C)=C/C
InChIInChI=1S/C22H33F11O2Si/c1-9-11-16(34)15(8)17(14(7)10-2)35-36(12(3)4,13(5)6)22(32,33)20(27,28)18(23,24)19(25,26)21(29,30)31/h9-10,12-13,15-17,34H,1,11H2,2-8H3/b14-10+
InChIKeyQYDIAQONBBMZNI-GXDHUFHOSA-N
XLogP8.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol?
The IUPAC name of (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol (CID 162538236) is (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol.
What is the SMILES notation for (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol?
The canonical SMILES for (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol is C=CCC(O)C(C)C(O[Si](C(C)C)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C(C)=C/C.
What is the InChIKey of (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol?
The InChIKey is QYDIAQONBBMZNI-GXDHUFHOSA-N. The full InChI is InChI=1S/C22H33F11O2Si/c1-9-11-16(34)15(8)17(14(7)10-2)35-36(12(3)4,13(5)6)22(32,33)20(27,28)18(23,24)19(25,26)21(29,30)31/h9-10,12-13,15-17,34H,1,11H2,2-8H3/b14-10+.
What are the key properties of (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol?
(7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol has a molecular weight of 566.57 g/mol, XLogP of 8.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-6-[di(propan-2-yl)-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silyl]oxy-5,7-dimethylnona-1,7-dien-4-ol is sourced from PubChem (CID 162538236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).