(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol

C21H42O3Si2 — CID 11143803

IUPAC(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol
SMILESC=C[C@H](C[C@@H](CC#CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-12-18(23-25(8,9)20(2,3)4)17-19(15-13-14-16-22)24-26(10,11)21(5,6)7/h12,18-19,22H,1,15-17H2,2-11H3/t18-,19-/m1/s1
InChIKeyCPYHPFXIICEJRF-RTBURBONSA-N
MW398.74 g/mol
LogP5.73
Rot. Bonds8

About (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol

(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol (PubChem CID 11143803) has the molecular formula C21H42O3Si2 and a molecular weight of 398.74 g/mol. Its IUPAC name is (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol.

Molecular Properties

Compound Name(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol
PubChem CID11143803
Molecular FormulaC21H42O3Si2
Molecular Weight398.74 g/mol
Exact Mass398.27
IUPAC Name(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol
SMILESC=C[C@H](C[C@@H](CC#CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-12-18(23-25(8,9)20(2,3)4)17-19(15-13-14-16-22)24-26(10,11)21(5,6)7/h12,18-19,22H,1,15-17H2,2-11H3/t18-,19-/m1/s1
InChIKeyCPYHPFXIICEJRF-RTBURBONSA-N
XLogP5.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.74
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol?
The IUPAC name of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol (CID 11143803) is (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol.
What is the SMILES notation for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol?
The canonical SMILES for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol is C=C[C@H](C[C@@H](CC#CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol?
The InChIKey is CPYHPFXIICEJRF-RTBURBONSA-N. The full InChI is InChI=1S/C21H42O3Si2/c1-12-18(23-25(8,9)20(2,3)4)17-19(15-13-14-16-22)24-26(10,11)21(5,6)7/h12,18-19,22H,1,15-17H2,2-11H3/t18-,19-/m1/s1.
What are the key properties of (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol?
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol has a molecular weight of 398.74 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-yn-1-ol is sourced from PubChem (CID 11143803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).