(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol

C20H42O3Si — CID 134941583

IUPAC(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-11-13-17(23-24(9,10)20(6,7)8)15(4)19(22)16(5)18(21)14(3)12-2/h12,14-19,21-22H,2,11,13H2,1,3-10H3/t14-,15+,16-,17-,18-,19+/m1/s1
InChIKeyMAXVRBRXDJLGPO-VUQDICHWSA-N
MW358.64 g/mol
LogP4.99
Rot. Bonds10

About (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol

(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol (PubChem CID 134941583) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol.

Molecular Properties

Compound Name(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol
PubChem CID134941583
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Name(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol
SMILESC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si/c1-11-13-17(23-24(9,10)20(6,7)8)15(4)19(22)16(5)18(21)14(3)12-2/h12,14-19,21-22H,2,11,13H2,1,3-10H3/t14-,15+,16-,17-,18-,19+/m1/s1
InChIKeyMAXVRBRXDJLGPO-VUQDICHWSA-N
XLogP4.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.99
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 (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol?
The IUPAC name of (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol (CID 134941583) is (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol.
What is the SMILES notation for (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol?
The canonical SMILES for (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol is C=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol?
The InChIKey is MAXVRBRXDJLGPO-VUQDICHWSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-11-13-17(23-24(9,10)20(6,7)8)15(4)19(22)16(5)18(21)14(3)12-2/h12,14-19,21-22H,2,11,13H2,1,3-10H3/t14-,15+,16-,17-,18-,19+/m1/s1.
What are the key properties of (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol?
(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol has a molecular weight of 358.64 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol is sourced from PubChem (CID 134941583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).