(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol

C23H48O3Si2 — CID 10765007

IUPAC(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol
SMILESC[C@@H](CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-19(18-25-27(9,10)22(3,4)5)15-16-21(20(2)14-13-17-24)26-28(11,12)23(6,7)8/h19-21,24H,15-18H2,1-12H3/t19-,20+,21-/m0/s1
InChIKeyHVEJYFUPSMJKIU-HBMCJLEFSA-N
MW428.81 g/mol
LogP6.45
Rot. Bonds9

About (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol

(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol (PubChem CID 10765007) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol.

Molecular Properties

Compound Name(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol
PubChem CID10765007
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol
SMILESC[C@@H](CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-19(18-25-27(9,10)22(3,4)5)15-16-21(20(2)14-13-17-24)26-28(11,12)23(6,7)8/h19-21,24H,15-18H2,1-12H3/t19-,20+,21-/m0/s1
InChIKeyHVEJYFUPSMJKIU-HBMCJLEFSA-N
XLogP6.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
(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
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
CID 134845348
(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
CID 134863674
(2R,3S,4R,5R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
CID 134863675
(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol
CID 134931135
(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol
CID 134931680
1-[Tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol
CID 139254007
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
CID 146161464
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol
CID 166449013

Frequently Asked Questions

What is the IUPAC name of (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol?
The IUPAC name of (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol (CID 10765007) is (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol.
What is the SMILES notation for (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol?
The canonical SMILES for (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol is C[C@@H](CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol?
The InChIKey is HVEJYFUPSMJKIU-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-19(18-25-27(9,10)22(3,4)5)15-16-21(20(2)14-13-17-24)26-28(11,12)23(6,7)8/h19-21,24H,15-18H2,1-12H3/t19-,20+,21-/m0/s1.
What are the key properties of (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol?
(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol has a molecular weight of 428.81 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-yn-1-ol is sourced from PubChem (CID 10765007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).