(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol

C20H42O6Si — CID 135077608

IUPAC(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCO[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C20H42O6Si/c1-7-8-9-10-11-12-13-24-19-18(23)17(22)16(21)15(26-19)14-25-27(5,6)20(2,3)4/h15-19,21-23H,7-14H2,1-6H3/t15?,16-,17?,18?,19-/m1/s1
InChIKeyWXEVMXBRFSAJNX-YHUKSXPISA-N
MW406.64 g/mol
LogP3.19
Rot. Bonds11

About (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol

(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol (PubChem CID 135077608) has the molecular formula C20H42O6Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol
PubChem CID135077608
Molecular FormulaC20H42O6Si
Molecular Weight406.64 g/mol
Exact Mass406.28
IUPAC Name(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCO[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C20H42O6Si/c1-7-8-9-10-11-12-13-24-19-18(23)17(22)16(21)15(26-19)14-25-27(5,6)20(2,3)4/h15-19,21-23H,7-14H2,1-6H3/t15?,16-,17?,18?,19-/m1/s1
InChIKeyWXEVMXBRFSAJNX-YHUKSXPISA-N
XLogP3.19
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-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

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The IUPAC name of (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol (CID 135077608) is (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol.
What is the SMILES notation for (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The canonical SMILES for (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol is CCCCCCCCO[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O.
What is the InChIKey of (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The InChIKey is WXEVMXBRFSAJNX-YHUKSXPISA-N. The full InChI is InChI=1S/C20H42O6Si/c1-7-8-9-10-11-12-13-24-19-18(23)17(22)16(21)15(26-19)14-25-27(5,6)20(2,3)4/h15-19,21-23H,7-14H2,1-6H3/t15?,16-,17?,18?,19-/m1/s1.
What are the key properties of (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol has a molecular weight of 406.64 g/mol, XLogP of 3.19, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol is sourced from PubChem (CID 135077608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).