(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol

C32H56O2Si — CID 11375487

IUPAC(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol
SMILESCC(C)CCCCCCC#CCCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H56O2Si/c1-30(2)26-22-19-17-15-13-11-9-8-10-12-14-16-18-20-23-27-31(33)28-24-21-25-29-34-35(6,7)32(3,4)5/h30-31,33H,8,10,12-20,22-23,26-27,29H2,1-7H3/t31-/m1/s1
InChIKeyDPBWXJXDGGFJNM-WJOKGBTCSA-N
MW500.88 g/mol
LogP8.89
Rot. Bonds17

About (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol

(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol (PubChem CID 11375487) has the molecular formula C32H56O2Si and a molecular weight of 500.88 g/mol. Its IUPAC name is (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol.

Molecular Properties

Compound Name(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol
PubChem CID11375487
Molecular FormulaC32H56O2Si
Molecular Weight500.88 g/mol
Exact Mass500.40
IUPAC Name(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol
SMILESCC(C)CCCCCCC#CCCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H56O2Si/c1-30(2)26-22-19-17-15-13-11-9-8-10-12-14-16-18-20-23-27-31(33)28-24-21-25-29-34-35(6,7)32(3,4)5/h30-31,33H,8,10,12-20,22-23,26-27,29H2,1-7H3/t31-/m1/s1
InChIKeyDPBWXJXDGGFJNM-WJOKGBTCSA-N
XLogP8.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.88
LogP ≤ 58.89
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': 'triple_bond', 'substructure': 'N/A'}

Analyze (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol with MolForge

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Related Compounds

Strongylodiol D
CID 11417800
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(2R,3S)-2-heptyl-2-triethylsilylpent-4-yne-1,3-diol
CID 11645298
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
1-[Tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
CID 101261967
(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
CID 101399728
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
CID 102055795

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol?
The IUPAC name of (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol (CID 11375487) is (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol.
What is the SMILES notation for (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol?
The canonical SMILES for (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol is CC(C)CCCCCCC#CCCCCCCCCC[C@@H](O)C#CC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol?
The InChIKey is DPBWXJXDGGFJNM-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H56O2Si/c1-30(2)26-22-19-17-15-13-11-9-8-10-12-14-16-18-20-23-27-31(33)28-24-21-25-29-34-35(6,7)32(3,4)5/h30-31,33H,8,10,12-20,22-23,26-27,29H2,1-7H3/t31-/m1/s1.
What are the key properties of (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol?
(6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol has a molecular weight of 500.88 g/mol, XLogP of 8.89, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[tert-butyl(dimethyl)silyl]oxy-24-methylpentacosa-2,4,16-triyn-6-ol is sourced from PubChem (CID 11375487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).