(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol

C20H40O3Si2 — CID 123175905

IUPAC(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol
SMILESC#CC(O)C=C[C@H](CCCCO[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-10-17(21)14-15-18(23-25(9)20(5,6)7)13-11-12-16-22-24(8)19(2,3)4/h1,14-15,17-18,21,24-25H,11-13,16H2,2-9H3/t17?,18-,24?,25?/m0/s1
InChIKeyQJTVOYRBAAEEBQ-URGFXZKMSA-N
MW384.71 g/mol
LogP4.42
Rot. Bonds10

About (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol

(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol (PubChem CID 123175905) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol
PubChem CID123175905
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Name(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol
SMILESC#CC(O)C=C[C@H](CCCCO[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-10-17(21)14-15-18(23-25(9)20(5,6)7)13-11-12-16-22-24(8)19(2,3)4/h1,14-15,17-18,21,24-25H,11-13,16H2,2-9H3/t17?,18-,24?,25?/m0/s1
InChIKeyQJTVOYRBAAEEBQ-URGFXZKMSA-N
XLogP4.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.71
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 138981962
(Z,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
CID 146161559
(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-yn-1-ol
CID 146161676
(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
CID 146162519
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-yn-1-ol
CID 146162520
(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol
CID 58461666
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol
CID 10860401
(Z,6S)-6,10-bis[[tert-butyl(dimethyl)silyl]oxy]dec-4-en-1-yn-3-ol
CID 11058731
(Z,5R,8R)-12-tri(propan-2-yl)silyloxytridec-6-ene-5,8-diol
CID 11101113
(5S,6Z,12R,14Z)-1,5,12-tris[[tert-butyl(dimethyl)silyl]oxy]icosa-6,14-dien-9-yne-8,11-diol
CID 11136231
(E,8S)-17-[tert-butyl(dimethyl)silyl]oxyheptadec-9-en-11,13-diyn-8-ol
CID 11303416

Frequently Asked Questions

What is the IUPAC name of (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The IUPAC name of (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol (CID 123175905) is (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol.
What is the SMILES notation for (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The canonical SMILES for (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol is C#CC(O)C=C[C@H](CCCCO[SiH](C)C(C)(C)C)O[SiH](C)C(C)(C)C.
What is the InChIKey of (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol?
The InChIKey is QJTVOYRBAAEEBQ-URGFXZKMSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-10-17(21)14-15-18(23-25(9)20(5,6)7)13-11-12-16-22-24(8)19(2,3)4/h1,14-15,17-18,21,24-25H,11-13,16H2,2-9H3/t17?,18-,24?,25?/m0/s1.
What are the key properties of (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol?
(6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol has a molecular weight of 384.71 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,10-bis[[tert-butyl(methyl)silyl]oxy]dec-4-en-1-yn-3-ol is sourced from PubChem (CID 123175905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).