tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane

C19H38O3Si — CID 123841224

IUPACtert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane
SMILESCCC=CC=C[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H38O3Si/c1-9-10-11-12-13-18(21-16-20-6)15-14-17(2)22-23(7,8)19(3,4)5/h10-13,17-18H,9,14-16H2,1-8H3/t17-,18+/m1/s1
InChIKeyXMUBCAQXHMVZMB-MSOLQXFVSA-N
MW342.60 g/mol
LogP5.69
Rot. Bonds11

About tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane (PubChem CID 123841224) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane
PubChem CID123841224
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane
SMILESCCC=CC=C[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H38O3Si/c1-9-10-11-12-13-18(21-16-20-6)15-14-17(2)22-23(7,8)19(3,4)5/h10-13,17-18H,9,14-16H2,1-8H3/t17-,18+/m1/s1
InChIKeyXMUBCAQXHMVZMB-MSOLQXFVSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11513219
tert-butyl-[(2S,4S,5S,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5-(methoxymethoxy)-7-methylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11621230
[(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11693315
tert-butyl-[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12158796
tert-butyl-[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 49871721
tert-butyl-[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 134859667
tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134870697
triethyl-[(4E)-6-(methoxymethoxy)-4-methyl-7-(trimethylsilylmethyl)octa-4,7-dienoxy]silane
CID 101521916
ethyl (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoate
CID 89996375
tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane
CID 140681811
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide
CID 158929573

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane (CID 123841224) is tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane is CCC=CC=C[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane?
The InChIKey is XMUBCAQXHMVZMB-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-10-11-12-13-18(21-16-20-6)15-14-17(2)22-23(7,8)19(3,4)5/h10-13,17-18H,9,14-16H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5R)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 123841224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).