(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol

C22H42O3Si — CID 135022083

IUPAC(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol
SMILESC[C@@H](C/C=C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O
InChIInChI=1S/C22H42O3Si/c1-19(16-17-20(23)22(5,6)24)15-13-11-9-10-12-14-18-25-26(7,8)21(2,3)4/h9-14,19-20,23-24H,15-18H2,1-8H3/b10-9-,13-11+,14-12+/t19-,20?/m0/s1
InChIKeyVBZMNFVZKLJOSQ-HXWOFLSZSA-N
MW382.66 g/mol
LogP5.61
Rot. Bonds11

About (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol

(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol (PubChem CID 135022083) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol.

Molecular Properties

Compound Name(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol
PubChem CID135022083
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Name(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol
SMILESC[C@@H](C/C=C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O
InChIInChI=1S/C22H42O3Si/c1-19(16-17-20(23)22(5,6)24)15-13-11-9-10-12-14-18-25-26(7,8)21(2,3)4/h9-14,19-20,23-24H,15-18H2,1-8H3/b10-9-,13-11+,14-12+/t19-,20?/m0/s1
InChIKeyVBZMNFVZKLJOSQ-HXWOFLSZSA-N
XLogP5.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(E,2R,6S,7R,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6,9-trimethyl-2,7-bis(triethylsilyloxy)undec-3-en-1-ol
CID 45103009
(3aR,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol
CID 60149554
(1r,4Ar,6r,7r,8z,10s,11z,12as)-11-({[t-butyl-(dimethyl)silyl]oxy}methyl)-1,7-dimethyl-1,4,4a,5,6,7,10,12a-octahydrobenzo[10]annulene-6,7,10-triol
CID 129751485
(1r,4Ar,6s,7s,8z,10s,11z,12as)-11-(t-butyldimethylsilyloxymethyl)-1,7-dimethyl-1,4,4a,5,6,7,10,12a-octahydrobenzo[10]annulene-6,7,10-triol
CID 129757669
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trien-1-ol
CID 135013443
(6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,12-dien-10-yne-2,3-diol
CID 135022043
(1E,3Z,5R,6R,7R)-6-hydroxy-4,5-dimethyl-7-phenylocta-1,3-dien-1-yl dimethylcarbamate
CID 145997834
(3E,5E,7S,8S,9R,10S,11R)-10,12-bis((tert-butyldimethylsilyl)oxy)-2,7,9,11-tetramethyldodeca-3,5-diene-1,2,8-triol
CID 145997837
(1S,7S,8S)-8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7-methyl-1,2,3,4,7,8-hexahydronaphthalen-1-ol
CID 9997172
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
CID 10251138
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecylcyclopent-2-en-1-ol
CID 10928304

Frequently Asked Questions

What is the IUPAC name of (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol?
The IUPAC name of (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol (CID 135022083) is (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol.
What is the SMILES notation for (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol?
The canonical SMILES for (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol is C[C@@H](C/C=C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O.
What is the InChIKey of (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol?
The InChIKey is VBZMNFVZKLJOSQ-HXWOFLSZSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-19(16-17-20(23)22(5,6)24)15-13-11-9-10-12-14-18-25-26(7,8)21(2,3)4/h9-14,19-20,23-24H,15-18H2,1-8H3/b10-9-,13-11+,14-12+/t19-,20?/m0/s1.
What are the key properties of (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol?
(6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol has a molecular weight of 382.66 g/mol, XLogP of 5.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyltetradeca-8,10,12-triene-2,3-diol is sourced from PubChem (CID 135022083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).