(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

C14H30O2Si2 — CID 15363416

IUPAC(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h13,15H,9,11H2,1-8H3/t13-/m0/s1
InChIKeyDZUKSCNAYAODAF-ZDUSSCGKSA-N
MW286.56 g/mol
LogP3.64
Rot. Bonds4

About (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 15363416) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
PubChem CID15363416
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h13,15H,9,11H2,1-8H3/t13-/m0/s1
InChIKeyDZUKSCNAYAODAF-ZDUSSCGKSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 102143532
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
11-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)undecanoic acid
CID 123979390
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (CID 15363416) is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is CC(C)(C)[Si](C)(C)OCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is DZUKSCNAYAODAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h13,15H,9,11H2,1-8H3/t13-/m0/s1.
What are the key properties of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 286.56 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 15363416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).