(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol

C21H36O2Si — CID 135021699

IUPAC(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol
SMILESC[C@@H](C/C=C/C#C/C=C/CO[Si](C)(C)C(C)(C)C)CC/C=C/CO
InChIInChI=1S/C21H36O2Si/c1-20(17-13-11-14-18-22)16-12-9-7-8-10-15-19-23-24(5,6)21(2,3)4/h9-12,14-15,20,22H,13,16-19H2,1-6H3/b12-9+,14-11+,15-10+/t20-/m0/s1
InChIKeyWHZPCISEDHCNBW-GDUAKHIHSA-N
MW348.60 g/mol
LogP5.48
Rot. Bonds9

About (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol

(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol (PubChem CID 135021699) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol.

Molecular Properties

Compound Name(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol
PubChem CID135021699
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol
SMILESC[C@@H](C/C=C/C#C/C=C/CO[Si](C)(C)C(C)(C)C)CC/C=C/CO
InChIInChI=1S/C21H36O2Si/c1-20(17-13-11-14-18-22)16-12-9-7-8-10-15-19-23-24(5,6)21(2,3)4/h9-12,14-15,20,22H,13,16-19H2,1-6H3/b12-9+,14-11+,15-10+/t20-/m0/s1
InChIKeyWHZPCISEDHCNBW-GDUAKHIHSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.48
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 11709440
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CID 49836104
(E,2R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-3-en-2-ol
CID 60144937
(E,2R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-3-en-2-ol
CID 101583269
(2E,5E,7S,8S)-3,7-dimethyl-8-[(triethylsilyl)oxy]deca-2,5-dien-1-ol
CID 86618041
(Z)-6-[hydroxy(dimethyl)silyl]-6-methylhept-2-en-1-ol
CID 88273013
(7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
CID 91254010
(2E)-5-[[[dimethyl(5-methylhexyl)silyl]oxy-dimethylsilyl]oxymethyl]hepta-2,6-dien-1-ol
CID 140719068
1-[Tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol
CID 150300932
4-[Tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-en-1-ol
CID 150585596
(2E,4R,5S,6E,8S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3,7-dimethylundeca-2,6,10-trien-4-ol
CID 157242268
(5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
CID 173033154

Frequently Asked Questions

What is the IUPAC name of (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol?
The IUPAC name of (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol (CID 135021699) is (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol.
What is the SMILES notation for (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol?
The canonical SMILES for (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol is C[C@@H](C/C=C/C#C/C=C/CO[Si](C)(C)C(C)(C)C)CC/C=C/CO.
What is the InChIKey of (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol?
The InChIKey is WHZPCISEDHCNBW-GDUAKHIHSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-20(17-13-11-14-18-22)16-12-9-7-8-10-15-19-23-24(5,6)21(2,3)4/h9-12,14-15,20,22H,13,16-19H2,1-6H3/b12-9+,14-11+,15-10+/t20-/m0/s1.
What are the key properties of (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol?
(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol has a molecular weight of 348.60 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol is sourced from PubChem (CID 135021699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).