(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol

C20H44O3Si2 — CID 11246239

IUPAC(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC
InChIInChI=1S/C20H44O3Si2/c1-13-15-16(21)18(23-25(11,12)20(6,7)8)17(14-2)22-24(9,10)19(3,4)5/h14,16-18,21H,2,13,15H2,1,3-12H3/t16-,17+,18-/m1/s1
InChIKeySVGRKNWVERXDFQ-FGTMMUONSA-N
MW388.74 g/mol
LogP6.11
Rot. Bonds9

About (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol

(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol (PubChem CID 11246239) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol.

Molecular Properties

Compound Name(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol
PubChem CID11246239
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC
InChIInChI=1S/C20H44O3Si2/c1-13-15-16(21)18(23-25(11,12)20(6,7)8)17(14-2)22-24(9,10)19(3,4)5/h14,16-18,21H,2,13,15H2,1,3-12H3/t16-,17+,18-/m1/s1
InChIKeySVGRKNWVERXDFQ-FGTMMUONSA-N
XLogP6.11
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 ≤ 56.11
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,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol?
The IUPAC name of (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol (CID 11246239) is (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol.
What is the SMILES notation for (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol?
The canonical SMILES for (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC.
What is the InChIKey of (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol?
The InChIKey is SVGRKNWVERXDFQ-FGTMMUONSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-13-15-16(21)18(23-25(11,12)20(6,7)8)17(14-2)22-24(9,10)19(3,4)5/h14,16-18,21H,2,13,15H2,1,3-12H3/t16-,17+,18-/m1/s1.
What are the key properties of (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol?
(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol has a molecular weight of 388.74 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-ol is sourced from PubChem (CID 11246239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).