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

C19H42O3Si2 — CID 139249866

IUPAC(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(21-23(8,9)18(2,3)4)17(14-12-13-15-20)22-24(10,11)19(5,6)7/h12-13,16-17,20H,14-15H2,1-11H3/b13-12+/t16-,17-/m1/s1
InChIKeyXBZCKLVOLIMEMR-JGJWRRPTSA-N
MW374.71 g/mol
LogP5.73
Rot. Bonds8

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

(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol (PubChem CID 139249866) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol.

Molecular Properties

Compound Name(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
PubChem CID139249866
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(21-23(8,9)18(2,3)4)17(14-12-13-15-20)22-24(10,11)19(5,6)7/h12-13,16-17,20H,14-15H2,1-11H3/b13-12+/t16-,17-/m1/s1
InChIKeyXBZCKLVOLIMEMR-JGJWRRPTSA-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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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(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
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764

Frequently Asked Questions

What is the IUPAC name of (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol?
The IUPAC name of (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol (CID 139249866) is (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol.
What is the SMILES notation for (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol?
The canonical SMILES for (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol?
The InChIKey is XBZCKLVOLIMEMR-JGJWRRPTSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-16(21-23(8,9)18(2,3)4)17(14-12-13-15-20)22-24(10,11)19(5,6)7/h12-13,16-17,20H,14-15H2,1-11H3/b13-12+/t16-,17-/m1/s1.
What are the key properties of (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol?
(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-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,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol is sourced from PubChem (CID 139249866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).