(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol

C23H48O3Si2 — CID 135019170

IUPAC(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
SMILESC[C@H](CCC#C[C@@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-14-16-21(24)18-17-20(2)26-28(11,12)23(6,7)8/h19-21,24H,13,15,17-18H2,1-12H3/t19-,20-,21-/m1/s1
InChIKeyHBGMJKPHVPTMHW-NJDAHSKKSA-N
MW428.81 g/mol
LogP6.73
Rot. Bonds9

About (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol

(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol (PubChem CID 135019170) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol.

Molecular Properties

Compound Name(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
PubChem CID135019170
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
SMILESC[C@H](CCC#C[C@@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-14-16-21(24)18-17-20(2)26-28(11,12)23(6,7)8/h19-21,24H,13,15,17-18H2,1-12H3/t19-,20-,21-/m1/s1
InChIKeyHBGMJKPHVPTMHW-NJDAHSKKSA-N
XLogP6.73
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 ≤ 56.73
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'}

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Related Compounds

2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
CID 11235617
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
6-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silylhexa-1,4-diyn-3-ol
CID 12027344
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
4,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
CID 86163752
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450
(2r,14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866121
(14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866468
(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol
CID 134846117
7-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
CID 134884608
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930779

Frequently Asked Questions

What is the IUPAC name of (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol?
The IUPAC name of (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol (CID 135019170) is (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol.
What is the SMILES notation for (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol?
The canonical SMILES for (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol is C[C@H](CCC#C[C@@H](O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol?
The InChIKey is HBGMJKPHVPTMHW-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-19(25-27(9,10)22(3,4)5)15-13-14-16-21(24)18-17-20(2)26-28(11,12)23(6,7)8/h19-21,24H,13,15,17-18H2,1-12H3/t19-,20-,21-/m1/s1.
What are the key properties of (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol?
(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol has a molecular weight of 428.81 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol is sourced from PubChem (CID 135019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).