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

C14H30O4Si — CID 11119829

IUPAC(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
SMILESCOCO[C@@H](/C=C/CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-11-9-13(8-7-10-15)17-12-16-4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m0/s1
InChIKeyYCBKEIZLKSDPSX-GWJCSSMESA-N
MW290.48 g/mol
LogP2.94
Rot. Bonds9

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

(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol (PubChem CID 11119829) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
PubChem CID11119829
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
SMILESCOCO[C@@H](/C=C/CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-11-9-13(8-7-10-15)17-12-16-4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m0/s1
InChIKeyYCBKEIZLKSDPSX-GWJCSSMESA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11779714
(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-2-en-1-ol
CID 140142862
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 10613375
(2E,4R,5S,6E)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dien-4-ol
CID 10686922
(2R,3S,6S)-6-but-3-enoxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10710403
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 10755819

Frequently Asked Questions

What is the IUPAC name of (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol?
The IUPAC name of (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol (CID 11119829) is (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol.
What is the SMILES notation for (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol?
The canonical SMILES for (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol is COCO[C@@H](/C=C/CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol?
The InChIKey is YCBKEIZLKSDPSX-GWJCSSMESA-N. The full InChI is InChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-11-9-13(8-7-10-15)17-12-16-4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m0/s1.
What are the key properties of (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol?
(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol has a molecular weight of 290.48 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol is sourced from PubChem (CID 11119829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).