(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol

C22H48O3Si2 — CID 11732481

IUPAC(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
SMILESC/C(=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)O
InChIInChI=1S/C22H48O3Si2/c1-16(18(3)23)15-17(2)20(25-27(13,14)22(8,9)10)19(4)24-26(11,12)21(5,6)7/h15,17-20,23H,1-14H3/b16-15+/t17-,18?,19-,20-/m0/s1
InChIKeyMZUBMKDDTVNTAO-ZOJSKXEMSA-N
MW416.80 g/mol
LogP6.75
Rot. Bonds8

About (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol

(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol (PubChem CID 11732481) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol.

Molecular Properties

Compound Name(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
PubChem CID11732481
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
SMILESC/C(=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)O
InChIInChI=1S/C22H48O3Si2/c1-16(18(3)23)15-17(2)20(25-27(13,14)22(8,9)10)19(4)24-26(11,12)21(5,6)7/h15,17-20,23H,1-14H3/b16-15+/t17-,18?,19-,20-/m0/s1
InChIKeyMZUBMKDDTVNTAO-ZOJSKXEMSA-N
XLogP6.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 56.75
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,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-ol
CID 123156116
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
(E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyldec-2-ene-1,5-diol
CID 11728066
tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
CID 11119907
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(E,5R,6R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethylundec-3-en-1-yn-6-ol
CID 10904310
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienal
CID 123436052
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride
CID 10864320
ethyl (E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethyldec-2-enoate
CID 10949401
[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-5-enyl]-iodo-triphenyl-λ5-phosphane
CID 101266693
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382

Frequently Asked Questions

What is the IUPAC name of (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol?
The IUPAC name of (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol (CID 11732481) is (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol.
What is the SMILES notation for (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol?
The canonical SMILES for (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol is C/C(=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)O.
What is the InChIKey of (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol?
The InChIKey is MZUBMKDDTVNTAO-ZOJSKXEMSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-16(18(3)23)15-17(2)20(25-27(13,14)22(8,9)10)19(4)24-26(11,12)21(5,6)7/h15,17-20,23H,1-14H3/b16-15+/t17-,18?,19-,20-/m0/s1.
What are the key properties of (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol?
(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol has a molecular weight of 416.80 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol is sourced from PubChem (CID 11732481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).