(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol

C33H46O2Si2 — CID 134866680

IUPAC(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol
SMILESCC(C)(C)[Si](OCCC/C=C/C=C/C=C/CCC(O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H46O2Si2/c1-33(2,3)37(31-23-17-14-18-24-31,32-25-19-15-20-26-32)35-28-21-13-11-9-7-8-10-12-16-22-30(34)27-29-36(4,5)6/h7-12,14-15,17-20,23-26,30,34H,13,16,21-22,28H2,1-6H3/b8-7+,11-9+,12-10+
InChIKeyJDMAKFULFWPPHO-BGSVYHRFSA-N
MW530.90 g/mol
LogP7.03
Rot. Bonds12

About (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol

(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol (PubChem CID 134866680) has the molecular formula C33H46O2Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol.

Molecular Properties

Compound Name(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol
PubChem CID134866680
Molecular FormulaC33H46O2Si2
Molecular Weight530.90 g/mol
Exact Mass530.30
IUPAC Name(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol
SMILESCC(C)(C)[Si](OCCC/C=C/C=C/C=C/CCC(O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H46O2Si2/c1-33(2,3)37(31-23-17-14-18-24-31,32-25-19-15-20-26-32)35-28-21-13-11-9-7-8-10-12-16-22-30(34)27-29-36(4,5)6/h7-12,14-15,17-20,23-26,30,34H,13,16,21-22,28H2,1-6H3/b8-7+,11-9+,12-10+
InChIKeyJDMAKFULFWPPHO-BGSVYHRFSA-N
XLogP7.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol?
The IUPAC name of (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol (CID 134866680) is (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol.
What is the SMILES notation for (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol?
The canonical SMILES for (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol is CC(C)(C)[Si](OCCC/C=C/C=C/C=C/CCC(O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol?
The InChIKey is JDMAKFULFWPPHO-BGSVYHRFSA-N. The full InChI is InChI=1S/C33H46O2Si2/c1-33(2,3)37(31-23-17-14-18-24-31,32-25-19-15-20-26-32)35-28-21-13-11-9-7-8-10-12-16-22-30(34)27-29-36(4,5)6/h7-12,14-15,17-20,23-26,30,34H,13,16,21-22,28H2,1-6H3/b8-7+,11-9+,12-10+.
What are the key properties of (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol?
(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol has a molecular weight of 530.90 g/mol, XLogP of 7.03, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol is sourced from PubChem (CID 134866680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).