(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol

C30H68O4Si3 — CID 138981466

IUPAC(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol
SMILESCC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C30H68O4Si3/c1-16-26(32-37(17-2,18-3)19-4)21-20-22-27(33-35(12,13)29(6,7)8)25(5)28(23-24-31)34-36(14,15)30(9,10)11/h25-28,31H,16-24H2,1-15H3/t25-,26+,27+,28-/m1/s1
InChIKeyVDMRZCMHNDOFBN-WXIAYYLYSA-N
MW577.13 g/mol
LogP9.76
Rot. Bonds18

About (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol

(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol (PubChem CID 138981466) has the molecular formula C30H68O4Si3 and a molecular weight of 577.13 g/mol. Its IUPAC name is (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol.

Molecular Properties

Compound Name(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol
PubChem CID138981466
Molecular FormulaC30H68O4Si3
Molecular Weight577.13 g/mol
Exact Mass576.44
IUPAC Name(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol
SMILESCC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C30H68O4Si3/c1-16-26(32-37(17-2,18-3)19-4)21-20-22-27(33-35(12,13)29(6,7)8)25(5)28(23-24-31)34-36(14,15)30(9,10)11/h25-28,31H,16-24H2,1-15H3/t25-,26+,27+,28-/m1/s1
InChIKeyVDMRZCMHNDOFBN-WXIAYYLYSA-N
XLogP9.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.13
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol 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 (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol?
The IUPAC name of (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol (CID 138981466) is (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol.
What is the SMILES notation for (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol?
The canonical SMILES for (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol is CC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol?
The InChIKey is VDMRZCMHNDOFBN-WXIAYYLYSA-N. The full InChI is InChI=1S/C30H68O4Si3/c1-16-26(32-37(17-2,18-3)19-4)21-20-22-27(33-35(12,13)29(6,7)8)25(5)28(23-24-31)34-36(14,15)30(9,10)11/h25-28,31H,16-24H2,1-15H3/t25-,26+,27+,28-/m1/s1.
What are the key properties of (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol?
(3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol has a molecular weight of 577.13 g/mol, XLogP of 9.76, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,9S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-triethylsilyloxyundecan-1-ol is sourced from PubChem (CID 138981466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).