(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol

C18H38O3Si — CID 24884890

IUPAC(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C18H38O3Si/c1-10-16(21-22(8,9)18(5,6)7)13(2)11-14(3)17(20)15(4)12-19/h10,13-17,19-20H,1,11-12H2,2-9H3/t13-,14+,15+,16-,17+/m1/s1
InChIKeyNCYWWZRWORIHFC-HMDCTGQHSA-N
MW330.59 g/mol
LogP4.21
Rot. Bonds9

About (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol

(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol (PubChem CID 24884890) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
PubChem CID24884890
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C18H38O3Si/c1-10-16(21-22(8,9)18(5,6)7)13(2)11-14(3)17(20)15(4)12-19/h10,13-17,19-20H,1,11-12H2,2-9H3/t13-,14+,15+,16-,17+/m1/s1
InChIKeyNCYWWZRWORIHFC-HMDCTGQHSA-N
XLogP4.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol?
The IUPAC name of (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol (CID 24884890) is (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol.
What is the SMILES notation for (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol?
The canonical SMILES for (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol?
The InChIKey is NCYWWZRWORIHFC-HMDCTGQHSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-10-16(21-22(8,9)18(5,6)7)13(2)11-14(3)17(20)15(4)12-19/h10,13-17,19-20H,1,11-12H2,2-9H3/t13-,14+,15+,16-,17+/m1/s1.
What are the key properties of (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol?
(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol has a molecular weight of 330.59 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol is sourced from PubChem (CID 24884890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).