(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol

C15H34O2Si — CID 134857526

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H34O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h13-14,16H,8-12H2,1-7H3/t13-,14-/m0/s1
InChIKeyYYZHKPNYZBFTCC-KBPBESRZSA-N
MW274.52 g/mol
LogP4.59
Rot. Bonds8

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol (PubChem CID 134857526) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
PubChem CID134857526
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H34O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h13-14,16H,8-12H2,1-7H3/t13-,14-/m0/s1
InChIKeyYYZHKPNYZBFTCC-KBPBESRZSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rac-((1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)methanol
CID 14172798
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
12-[Tert-butyl(dimethyl)silyl]oxydodecan-2-ol
CID 90302960
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxyoctane-2,3-diol
CID 10978745
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol (CID 134857526) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol?
The InChIKey is YYZHKPNYZBFTCC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-8-9-10-11-14(13(2)12-16)17-18(6,7)15(3,4)5/h13-14,16H,8-12H2,1-7H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol has a molecular weight of 274.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol is sourced from PubChem (CID 134857526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).