(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol

C16H34O2Si — CID 14107959

IUPAC(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
SMILESC=C[C@H](CCCC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-11-12-14(10-2)15(17)13(3)18-19(7,8)16(4,5)6/h10,13-15,17H,2,9,11-12H2,1,3-8H3/t13-,14-,15-/m1/s1
InChIKeyNFDKJXBSHBCEQU-RBSFLKMASA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds8

About (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol

(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol (PubChem CID 14107959) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
PubChem CID14107959
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
SMILESC=C[C@H](CCCC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-11-12-14(10-2)15(17)13(3)18-19(7,8)16(4,5)6/h10,13-15,17H,2,9,11-12H2,1,3-8H3/t13-,14-,15-/m1/s1
InChIKeyNFDKJXBSHBCEQU-RBSFLKMASA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
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'}

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(1R,2R)-2-(1-trimethylsilylethenyl)-1-[(2R)-2-trimethylsilyloxiran-2-yl]hexan-1-ol
CID 13817086
(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
CID 14979169
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
CID 24884890
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol?
The IUPAC name of (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol (CID 14107959) is (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol.
What is the SMILES notation for (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol?
The canonical SMILES for (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol is C=C[C@H](CCCC)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol?
The InChIKey is NFDKJXBSHBCEQU-RBSFLKMASA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-11-12-14(10-2)15(17)13(3)18-19(7,8)16(4,5)6/h10,13-15,17H,2,9,11-12H2,1,3-8H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol?
(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol is sourced from PubChem (CID 14107959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).