(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol

C26H50O4Si2 — CID 101181545

IUPAC(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol
SMILESCC1=CCO[C@H](/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H50O4Si2/c1-21-17-19-28-22(20-21)15-16-24(30-32(10,11)26(5,6)7)23(14-12-13-18-27)29-31(8,9)25(2,3)4/h12,14-17,22-24,27H,13,18-20H2,1-11H3/b14-12-,16-15+/t22-,23+,24+/m1/s1
InChIKeyLATNJCUUCFEZIA-WARPKJEGSA-N
MW482.85 g/mol
LogP7.00
Rot. Bonds10

About (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol

(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol (PubChem CID 101181545) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol.

Molecular Properties

Compound Name(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol
PubChem CID101181545
Molecular FormulaC26H50O4Si2
Molecular Weight482.85 g/mol
Exact Mass482.32
IUPAC Name(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol
SMILESCC1=CCO[C@H](/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C26H50O4Si2/c1-21-17-19-28-22(20-21)15-16-24(30-32(10,11)26(5,6)7)23(14-12-13-18-27)29-31(8,9)25(2,3)4/h12,14-17,22-24,27H,13,18-20H2,1-11H3/b14-12-,16-15+/t22-,23+,24+/m1/s1
InChIKeyLATNJCUUCFEZIA-WARPKJEGSA-N
XLogP7.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 57.00
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'}

Analyze (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol with MolForge

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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
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
(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
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
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
tert-butyl-[[(2R)-6-[[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134930747
(1Z,4S,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol
CID 134940028
(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-ol
CID 154709743
(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
CID 11209244
(2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol
CID 11785052
(3S,4Z,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-ol
CID 58488358

Frequently Asked Questions

What is the IUPAC name of (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol?
The IUPAC name of (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol (CID 101181545) is (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol.
What is the SMILES notation for (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol?
The canonical SMILES for (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol is CC1=CCO[C@H](/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCO)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol?
The InChIKey is LATNJCUUCFEZIA-WARPKJEGSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-21-17-19-28-22(20-21)15-16-24(30-32(10,11)26(5,6)7)23(14-12-13-18-27)29-31(8,9)25(2,3)4/h12,14-17,22-24,27H,13,18-20H2,1-11H3/b14-12-,16-15+/t22-,23+,24+/m1/s1.
What are the key properties of (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol?
(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol has a molecular weight of 482.85 g/mol, XLogP of 7.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol is sourced from PubChem (CID 101181545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).