(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid

C16H32O4Si — CID 91009146

IUPAC(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid
SMILESCC=C[C@@H](O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C16H32O4Si/c1-9-10-13(17)11(2)14(12(3)15(18)19)20-21(7,8)16(4,5)6/h9-14,17H,1-8H3,(H,18,19)/t11-,12+,13+,14+/m0/s1
InChIKeyYIIYIVJUXVDQCE-REWJHTLYSA-N
MW316.51 g/mol
LogP3.67
Rot. Bonds7

About (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid

(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid (PubChem CID 91009146) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid
PubChem CID91009146
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid
SMILESCC=C[C@@H](O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C16H32O4Si/c1-9-10-13(17)11(2)14(12(3)15(18)19)20-21(7,8)16(4,5)6/h9-14,17H,1-8H3,(H,18,19)/t11-,12+,13+,14+/m0/s1
InChIKeyYIIYIVJUXVDQCE-REWJHTLYSA-N
XLogP3.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.67
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 (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid?
The IUPAC name of (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid (CID 91009146) is (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid.
What is the SMILES notation for (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid?
The canonical SMILES for (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid is CC=C[C@@H](O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid?
The InChIKey is YIIYIVJUXVDQCE-REWJHTLYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9-10-13(17)11(2)14(12(3)15(18)19)20-21(7,8)16(4,5)6/h9-14,17H,1-8H3,(H,18,19)/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid?
(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid has a molecular weight of 316.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid is sourced from PubChem (CID 91009146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).