(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol

C19H42O2Si — CID 101399728

IUPAC(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
SMILESC[C@H](C[C@H](C)C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-15(11-17(3)13-20)10-16(2)12-18(4)14-21-22(8,9)19(5,6)7/h15-18,20H,10-14H2,1-9H3/t15-,16+,17-,18+/m0/s1
InChIKeyJIYRFSHMDHZVJS-XWTMOSNGSA-N
MW330.63 g/mol
LogP5.72
Rot. Bonds10

About (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol

(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol (PubChem CID 101399728) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol.

Molecular Properties

Compound Name(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
PubChem CID101399728
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Name(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
SMILESC[C@H](C[C@H](C)C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-15(11-17(3)13-20)10-16(2)12-18(4)14-21-22(8,9)19(5,6)7/h15-18,20H,10-14H2,1-9H3/t15-,16+,17-,18+/m0/s1
InChIKeyJIYRFSHMDHZVJS-XWTMOSNGSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Octanol, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11043515
10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
9-((tert-Butyldimethylsilyl)oxy)nonan-1-ol
CID 14521701
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
16-[Tert-butyl(dimethyl)silyl]oxyhexadecan-1-ol
CID 71762408
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
2-Octylundecane-1,11-diol
CID 18458473
2-Nonyldecane-1,10-diol
CID 21966282
8,13-Dimethylicosane-1,20-diol
CID 57148401
4,8,12-Trimethylpentadecane-1,15-diol
CID 164518613
Silane, diethyl(3-methylpentyloxy)octyloxy-
CID 91741057
Silane, diethylisohexyloxyoctyloxy-
CID 91741086

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol?
The IUPAC name of (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol (CID 101399728) is (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol.
What is the SMILES notation for (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol?
The canonical SMILES for (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol is C[C@H](C[C@H](C)C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol?
The InChIKey is JIYRFSHMDHZVJS-XWTMOSNGSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-15(11-17(3)13-20)10-16(2)12-18(4)14-21-22(8,9)19(5,6)7/h15-18,20H,10-14H2,1-9H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol?
(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol has a molecular weight of 330.63 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol is sourced from PubChem (CID 101399728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).