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

C20H44O3Si2 — CID 91397760

IUPAC(4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol
SMILESC[C@H](C=CCO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-17(13-12-15-21)18(23-25(10,11)20(5,6)7)14-16-22-24(8,9)19(2,3)4/h12-13,17-18,21H,14-16H2,1-11H3/t17-,18+/m1/s1
InChIKeyQXALONDOJZQWLF-MSOLQXFVSA-N
MW388.74 g/mol
LogP5.97
Rot. Bonds9

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

(4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol (PubChem CID 91397760) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol.

Molecular Properties

Compound Name(4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol
PubChem CID91397760
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol
SMILESC[C@H](C=CCO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-17(13-12-15-21)18(23-25(10,11)20(5,6)7)14-16-22-24(8,9)19(2,3)4/h12-13,17-18,21H,14-16H2,1-11H3/t17-,18+/m1/s1
InChIKeyQXALONDOJZQWLF-MSOLQXFVSA-N
XLogP5.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 55.97
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 (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol?
The IUPAC name of (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol (CID 91397760) is (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol.
What is the SMILES notation for (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol?
The canonical SMILES for (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol is C[C@H](C=CCO)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol?
The InChIKey is QXALONDOJZQWLF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-17(13-12-15-21)18(23-25(10,11)20(5,6)7)14-16-22-24(8,9)19(2,3)4/h12-13,17-18,21H,14-16H2,1-11H3/t17-,18+/m1/s1.
What are the key properties of (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol?
(4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol has a molecular weight of 388.74 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-en-1-ol is sourced from PubChem (CID 91397760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).