(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol

C18H40O3Si2 — CID 134865662

IUPAC(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,16,19H,13-15H2,1-10H3/b12-11+/t16-/m0/s1
InChIKeyAJOIEJXRPKPYNP-PCUGXKRQSA-N
MW360.69 g/mol
LogP5.34
Rot. Bonds8

About (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol

(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol (PubChem CID 134865662) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol.

Molecular Properties

Compound Name(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
PubChem CID134865662
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,16,19H,13-15H2,1-10H3/b12-11+/t16-/m0/s1
InChIKeyAJOIEJXRPKPYNP-PCUGXKRQSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.34
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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Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol?
The IUPAC name of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol (CID 134865662) is (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol.
What is the SMILES notation for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol?
The canonical SMILES for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol is CC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol?
The InChIKey is AJOIEJXRPKPYNP-PCUGXKRQSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-12-11-13-16(15-19)21-23(9,10)18(4,5)6/h11-12,16,19H,13-15H2,1-10H3/b12-11+/t16-/m0/s1.
What are the key properties of (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol?
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol has a molecular weight of 360.69 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol is sourced from PubChem (CID 134865662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).