(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol

C24H46O2Si2 — CID 134887146

IUPAC(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol
SMILESC=C(C)C(O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-18(2)23(25)21(5)17-19(3)16-20(4)22(14-15-27(9,10)11)26-28(12,13)24(6,7)8/h14-17,20,22-23,25H,1H2,2-13H3/b15-14+,19-16+,21-17+/t20-,22-,23?/m1/s1
InChIKeyAKHQUGJEAZVIOE-HOJUFRPZSA-N
MW422.80 g/mol
LogP7.28
Rot. Bonds9

About (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol

(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol (PubChem CID 134887146) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol.

Molecular Properties

Compound Name(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol
PubChem CID134887146
Molecular FormulaC24H46O2Si2
Molecular Weight422.80 g/mol
Exact Mass422.30
IUPAC Name(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol
SMILESC=C(C)C(O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-18(2)23(25)21(5)17-19(3)16-20(4)22(14-15-27(9,10)11)26-28(12,13)24(6,7)8/h14-17,20,22-23,25H,1H2,2-13H3/b15-14+,19-16+,21-17+/t20-,22-,23?/m1/s1
InChIKeyAKHQUGJEAZVIOE-HOJUFRPZSA-N
XLogP7.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 57.28
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z)-7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 21651787
7-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 54233189
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol?
The IUPAC name of (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol (CID 134887146) is (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol.
What is the SMILES notation for (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol?
The canonical SMILES for (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol is C=C(C)C(O)/C(C)=C/C(C)=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol?
The InChIKey is AKHQUGJEAZVIOE-HOJUFRPZSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-18(2)23(25)21(5)17-19(3)16-20(4)22(14-15-27(9,10)11)26-28(12,13)24(6,7)8/h14-17,20,22-23,25H,1H2,2-13H3/b15-14+,19-16+,21-17+/t20-,22-,23?/m1/s1.
What are the key properties of (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol?
(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol has a molecular weight of 422.80 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol is sourced from PubChem (CID 134887146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).