(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol

C22H42O6Si — CID 11654885

IUPAC(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
SMILESCC(C)=CCC/C(C)=C\CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H42O6Si/c1-15(2)10-9-11-16(3)12-13-26-21-20(25)19(24)18(23)17(28-21)14-27-29(7,8)22(4,5)6/h10,12,17-21,23-25H,9,11,13-14H2,1-8H3/b16-12-/t17-,18-,19+,20-,21-/m1/s1
InChIKeyGWDYTKKMGIROMU-JUHPINOQSA-N
MW430.66 g/mol
LogP3.53
Rot. Bonds9

About (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol (PubChem CID 11654885) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
PubChem CID11654885
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
SMILESCC(C)=CCC/C(C)=C\CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H42O6Si/c1-15(2)10-9-11-16(3)12-13-26-21-20(25)19(24)18(23)17(28-21)14-27-29(7,8)22(4,5)6/h10,12,17-21,23-25H,9,11,13-14H2,1-8H3/b16-12-/t17-,18-,19+,20-,21-/m1/s1
InChIKeyGWDYTKKMGIROMU-JUHPINOQSA-N
XLogP3.53
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Geranyl glucoside
CID 10710515
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
CID 131750855
(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10314695
Geranyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside
CID 15624181
Geranyl beta-primeveroside
CID 6443689
Geranyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
CID 21630845
Rosiridin
CID 25068281
Neryl glucoside
CID 18688993
Neryl rhamnosyl-glucoside
CID 131750856
Nerol glucoside
CID 10567416
Neryl arabinofuranosyl-glucoside
CID 18688995
Geranyl arabinopyranosyl-glucoside
CID 131752681

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol (CID 11654885) is (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol is CC(C)=CCC/C(C)=C\CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol?
The InChIKey is GWDYTKKMGIROMU-JUHPINOQSA-N. The full InChI is InChI=1S/C22H42O6Si/c1-15(2)10-9-11-16(3)12-13-26-21-20(25)19(24)18(23)17(28-21)14-27-29(7,8)22(4,5)6/h10,12,17-21,23-25H,9,11,13-14H2,1-8H3/b16-12-/t17-,18-,19+,20-,21-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol has a molecular weight of 430.66 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol is sourced from PubChem (CID 11654885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).