(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol

C21H46O3Si2 — CID 90814809

IUPAC(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol
SMILESCC(=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C21H46O3Si2/c1-17(16-22)15-18(2)19(24-26(11,12)21(6,7)8)13-14-23-25(9,10)20(3,4)5/h15,18-19,22H,13-14,16H2,1-12H3/t18-,19-/m0/s1
InChIKeyYWRVEWALZJBJNJ-OALUTQOASA-N
MW402.77 g/mol
LogP6.36
Rot. Bonds9

About (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol

(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol (PubChem CID 90814809) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol.

Molecular Properties

Compound Name(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol
PubChem CID90814809
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol
SMILESCC(=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C21H46O3Si2/c1-17(16-22)15-18(2)19(24-26(11,12)21(6,7)8)13-14-23-25(9,10)20(3,4)5/h15,18-19,22H,13-14,16H2,1-12H3/t18-,19-/m0/s1
InChIKeyYWRVEWALZJBJNJ-OALUTQOASA-N
XLogP6.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.36
H-Bond Donors ≤ 51
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 (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol?
The IUPAC name of (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol (CID 90814809) is (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol.
What is the SMILES notation for (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol?
The canonical SMILES for (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol is CC(=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol?
The InChIKey is YWRVEWALZJBJNJ-OALUTQOASA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-17(16-22)15-18(2)19(24-26(11,12)21(6,7)8)13-14-23-25(9,10)20(3,4)5/h15,18-19,22H,13-14,16H2,1-12H3/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol?
(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol has a molecular weight of 402.77 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-en-1-ol is sourced from PubChem (CID 90814809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).