tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane

C18H38O3Si — CID 135016313

IUPACtert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C)CCCC
InChIInChI=1S/C18H38O3Si/c1-10-12-13-15(3)17(20-14-19-7)16(11-2)21-22(8,9)18(4,5)6/h11,15-17H,2,10,12-14H2,1,3-9H3/t15-,16+,17+/m0/s1
InChIKeyPCTSSIUOTPYHNK-GVDBMIGSSA-N
MW330.59 g/mol
LogP5.38
Rot. Bonds11

About tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane (PubChem CID 135016313) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane
PubChem CID135016313
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Nametert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C)CCCC
InChIInChI=1S/C18H38O3Si/c1-10-12-13-15(3)17(20-14-19-7)16(11-2)21-22(8,9)18(4,5)6/h11,15-17H,2,10,12-14H2,1,3-9H3/t15-,16+,17+/m0/s1
InChIKeyPCTSSIUOTPYHNK-GVDBMIGSSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.38
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane (CID 135016313) is tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C)CCCC.
What is the InChIKey of tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is PCTSSIUOTPYHNK-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-10-12-13-15(3)17(20-14-19-7)16(11-2)21-22(8,9)18(4,5)6/h11,15-17H,2,10,12-14H2,1,3-9H3/t15-,16+,17+/m0/s1.
What are the key properties of tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 135016313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).