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

C14H30O4Si — CID 134863284

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

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

(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol (PubChem CID 134863284) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol.

Molecular Properties

Compound Name(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
PubChem CID134863284
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
SMILESCOCO[C@H](CO)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-10-8-7-9-13(11-15)17-12-16-4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m0/s1
InChIKeyMIMMPBMFFFHUIS-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

(E,3R,4S)-3-(methoxymethoxy)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 11276561
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
(Z,2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 139252506
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 139252508
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273
2-(tert-Butyl-dimethyl-silanyloxy)-dodeca-4,10-dien-6-ol
CID 145927284
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-11-methyl-dodeca-4,10-dien-6-ol
CID 145927286

Frequently Asked Questions

What is the IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol?
The IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol (CID 134863284) is (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol.
What is the SMILES notation for (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol?
The canonical SMILES for (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol is COCO[C@H](CO)C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol?
The InChIKey is MIMMPBMFFFHUIS-GWJCSSMESA-N. The full InChI is InChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-10-8-7-9-13(11-15)17-12-16-4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m0/s1.
What are the key properties of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol?
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-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,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol is sourced from PubChem (CID 134863284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).