(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol

C19H42O3Si2 — CID 102050109

IUPAC(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
SMILESC/C(=C\C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C19H42O3Si2/c1-16(14-20)12-13-17(22-24(10,11)19(5,6)7)15-21-23(8,9)18(2,3)4/h12,17,20H,13-15H2,1-11H3/b16-12+/t17-/m1/s1
InChIKeyOYVIEGMQELTULI-NWNNTGRJSA-N
MW374.71 g/mol
LogP5.73
Rot. Bonds8

About (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol

(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol (PubChem CID 102050109) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
PubChem CID102050109
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
SMILESC/C(=C\C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C19H42O3Si2/c1-16(14-20)12-13-17(22-24(10,11)19(5,6)7)15-21-23(8,9)18(2,3)4/h12,17,20H,13-15H2,1-11H3/b16-12+/t17-/m1/s1
InChIKeyOYVIEGMQELTULI-NWNNTGRJSA-N
XLogP5.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.73
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 (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol?
The IUPAC name of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol (CID 102050109) is (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol.
What is the SMILES notation for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol?
The canonical SMILES for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol is C/C(=C\C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol?
The InChIKey is OYVIEGMQELTULI-NWNNTGRJSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-16(14-20)12-13-17(22-24(10,11)19(5,6)7)15-21-23(8,9)18(2,3)4/h12,17,20H,13-15H2,1-11H3/b16-12+/t17-/m1/s1.
What are the key properties of (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol?
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol has a molecular weight of 374.71 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol is sourced from PubChem (CID 102050109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).