(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol

C20H44O4Si2 — CID 132603399

IUPAC(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-11-12-18(21)15-19(23-16-22-13-14-25(6,7)8)17(2)24-26(9,10)20(3,4)5/h11,17-19,21H,1,12-16H2,2-10H3/t17-,18-,19-/m1/s1
InChIKeyPKVQKKAHFUXZAM-GUDVDZBRSA-N
MW404.74 g/mol
LogP5.42
Rot. Bonds13

About (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol

(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol (PubChem CID 132603399) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol.

Molecular Properties

Compound Name(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol
PubChem CID132603399
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Name(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol
SMILESC=CC[C@@H](O)C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-11-12-18(21)15-19(23-16-22-13-14-25(6,7)8)17(2)24-26(9,10)20(3,4)5/h11,17-19,21H,1,12-16H2,2-10H3/t17-,18-,19-/m1/s1
InChIKeyPKVQKKAHFUXZAM-GUDVDZBRSA-N
XLogP5.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol?
The IUPAC name of (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol (CID 132603399) is (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol.
What is the SMILES notation for (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol?
The canonical SMILES for (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol is C=CC[C@@H](O)C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol?
The InChIKey is PKVQKKAHFUXZAM-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-11-12-18(21)15-19(23-16-22-13-14-25(6,7)8)17(2)24-26(9,10)20(3,4)5/h11,17-19,21H,1,12-16H2,2-10H3/t17-,18-,19-/m1/s1.
What are the key properties of (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol?
(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol has a molecular weight of 404.74 g/mol, XLogP of 5.42, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-en-4-ol is sourced from PubChem (CID 132603399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).