(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol

C22H46O4Si2 — CID 102045930

IUPAC(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
SMILESC=C[C@H](OC)[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/C22H46O4Si2/c1-14-18(24-9)20(26-28(12,13)22(6,7)8)19(15-17(2)16-23)25-27(10,11)21(3,4)5/h14-15,18-20,23H,1,16H2,2-13H3/b17-15+/t18-,19+,20+/m0/s1
InChIKeyDSDLRCTZZFTYSI-OMUFDCOQSA-N
MW430.78 g/mol
LogP5.91
Rot. Bonds10

About (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol

(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol (PubChem CID 102045930) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
PubChem CID102045930
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
SMILESC=C[C@H](OC)[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/C22H46O4Si2/c1-14-18(24-9)20(26-28(12,13)22(6,7)8)19(15-17(2)16-23)25-27(10,11)21(3,4)5/h14-15,18-20,23H,1,16H2,2-13H3/b17-15+/t18-,19+,20+/m0/s1
InChIKeyDSDLRCTZZFTYSI-OMUFDCOQSA-N
XLogP5.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(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
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol
CID 25191434
(2E,7Z)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]octa-2,7-dien-1-ol
CID 53465582
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]nona-3,8-dien-2-ol
CID 102257206
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol?
The IUPAC name of (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol (CID 102045930) is (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol.
What is the SMILES notation for (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol?
The canonical SMILES for (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol is C=C[C@H](OC)[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 (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol?
The InChIKey is DSDLRCTZZFTYSI-OMUFDCOQSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-14-18(24-9)20(26-28(12,13)22(6,7)8)19(15-17(2)16-23)25-27(10,11)21(3,4)5/h14-15,18-20,23H,1,16H2,2-13H3/b17-15+/t18-,19+,20+/m0/s1.
What are the key properties of (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol?
(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol has a molecular weight of 430.78 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol is sourced from PubChem (CID 102045930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).