(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol

C17H34O2Si2 — CID 11823595

IUPAC(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16-/m1/s1
InChIKeyWPMGCIODWSNQHI-HZPDHXFCSA-N
MW326.63 g/mol
LogP4.58
Rot. Bonds6

About (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol (PubChem CID 11823595) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
PubChem CID11823595
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16-/m1/s1
InChIKeyWPMGCIODWSNQHI-HZPDHXFCSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(4S,5S,6S)-5-methyl-6-tri(propan-2-yl)silyloxynon-8-en-2-yn-4-ol
CID 134949285
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
(5R)-1-tri(propan-2-yl)silyldec-9-en-1,3-diyn-5-ol
CID 135019971
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 138981962
6-[Tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
CID 139252747
(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 146162881
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
CID 164666342
(7z,11z)-1,18-Bis(trimethylsilyl)octadeca-7,11-diene1,17-diyne-3,16-diol
CID 168011472
Tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
CID 11120485

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol (CID 11823595) is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The canonical SMILES for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol is C=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
The InChIKey is WPMGCIODWSNQHI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-10-15(18)14-16(12-11-13-20(5,6)7)19-21(8,9)17(2,3)4/h10,15-16,18H,1,12,14H2,2-9H3/t15-,16-/m1/s1.
What are the key properties of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol?
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol has a molecular weight of 326.63 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 11823595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).