tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane

C29H54O4Si2 — CID 134957306

IUPACtert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(C)=C/C[C@@H](C[C@@H]1C=CC[C@@H](C[C@H](OC)[C@@H](C)C(=C)O[Si](C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O4Si2/c1-14-22(2)18-19-27(33-35(12,13)29(5,6)7)20-25-16-15-17-26(31-25)21-28(30-8)23(3)24(4)32-34(9,10)11/h14-16,18,23,25-28H,1,4,17,19-21H2,2-3,5-13H3/b22-18+/t23-,25-,26-,27-,28-/m0/s1
InChIKeyOJGKHCIQOOBHRS-ZAPYDZDPSA-N
MW522.92 g/mol
LogP8.41
Rot. Bonds14

About tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane (PubChem CID 134957306) has the molecular formula C29H54O4Si2 and a molecular weight of 522.92 g/mol. Its IUPAC name is tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane
PubChem CID134957306
Molecular FormulaC29H54O4Si2
Molecular Weight522.92 g/mol
Exact Mass522.36
IUPAC Nametert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(C)=C/C[C@@H](C[C@@H]1C=CC[C@@H](C[C@H](OC)[C@@H](C)C(=C)O[Si](C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H54O4Si2/c1-14-22(2)18-19-27(33-35(12,13)29(5,6)7)20-25-16-15-17-26(31-25)21-28(30-8)23(3)24(4)32-34(9,10)11/h14-16,18,23,25-28H,1,4,17,19-21H2,2-3,5-13H3/b22-18+/t23-,25-,26-,27-,28-/m0/s1
InChIKeyOJGKHCIQOOBHRS-ZAPYDZDPSA-N
XLogP8.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.92
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 11794966
[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 134887512
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CID 135035938
tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848926
tert-butyl-[(2S,3R,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848928
tert-butyl-[(2S,3R,5R)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57078524
tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57086607
tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane
CID 58822534
hydroxy-dimethyl-[2-methyl-1-[(1R,4R,5R,6S)-4,5,6-tributoxy-3-(butoxymethyl)cyclohex-2-en-1-yl]propan-2-yl]silane
CID 71079950
tert-butyl-[(2S,3R,5S)-2-[(2E,4Z,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 88485665
tert-butyl-[(2S,3R,5R)-2-[(2E,4Z,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 88485666
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-4-methylocta-2,4-dienoate
CID 10864807

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane (CID 134957306) is tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane is C=C/C(C)=C/C[C@@H](C[C@@H]1C=CC[C@@H](C[C@H](OC)[C@@H](C)C(=C)O[Si](C)(C)C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane?
The InChIKey is OJGKHCIQOOBHRS-ZAPYDZDPSA-N. The full InChI is InChI=1S/C29H54O4Si2/c1-14-22(2)18-19-27(33-35(12,13)29(5,6)7)20-25-16-15-17-26(31-25)21-28(30-8)23(3)24(4)32-34(9,10)11/h14-16,18,23,25-28H,1,4,17,19-21H2,2-3,5-13H3/b22-18+/t23-,25-,26-,27-,28-/m0/s1.
What are the key properties of tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane has a molecular weight of 522.92 g/mol, XLogP of 8.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).