(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol

C20H44O3Si2 — CID 134841575

IUPAC(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol
SMILESC/C(=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(15-22-24(9,10)19(3,4)5)13-18(17(2)14-21)23-25(11,12)20(6,7)8/h13,17-18,21H,14-15H2,1-12H3/b16-13+/t17-,18+/m1/s1
InChIKeyKNYYNWHCQHQFBF-WWMCSRHNSA-N
MW388.74 g/mol
LogP5.97
Rot. Bonds8

About (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol

(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol (PubChem CID 134841575) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol
PubChem CID134841575
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Name(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol
SMILESC/C(=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(15-22-24(9,10)19(3,4)5)13-18(17(2)14-21)23-25(11,12)20(6,7)8/h13,17-18,21H,14-15H2,1-12H3/b16-13+/t17-,18+/m1/s1
InChIKeyKNYYNWHCQHQFBF-WWMCSRHNSA-N
XLogP5.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 55.97
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'}

Analyze (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292
(3S,4Z,6E,8R,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8,10,13-trimethyltetradeca-4,6,10-trien-1-ol
CID 60153235
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol?
The IUPAC name of (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol (CID 134841575) is (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol.
What is the SMILES notation for (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol?
The canonical SMILES for (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol is C/C(=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol?
The InChIKey is KNYYNWHCQHQFBF-WWMCSRHNSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-16(15-22-24(9,10)19(3,4)5)13-18(17(2)14-21)23-25(11,12)20(6,7)8/h13,17-18,21H,14-15H2,1-12H3/b16-13+/t17-,18+/m1/s1.
What are the key properties of (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol?
(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol has a molecular weight of 388.74 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol is sourced from PubChem (CID 134841575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).