tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane

C18H38OSi — CID 42612432

IUPACtert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC
InChIInChI=1S/C18H38OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h12,14-17H,2,11,13H2,1,3-10H3/t14-,15+,16-,17+/m1/s1
InChIKeyVBEKAMLHELSIHC-TWMKSMIVSA-N
MW298.59 g/mol
LogP6.27
Rot. Bonds8

About tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane (PubChem CID 42612432) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane
PubChem CID42612432
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC
InChIInChI=1S/C18H38OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h12,14-17H,2,11,13H2,1,3-10H3/t14-,15+,16-,17+/m1/s1
InChIKeyVBEKAMLHELSIHC-TWMKSMIVSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane with MolForge

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Related Compounds

tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-prop-2-enyloxasilolane
CID 391575
6-(Fluoromethyl)non-1-en-4-yloxy-trimethylsilane
CID 54115950
6-(1-Fluoroethenyl)dec-1-en-4-yloxy-trimethylsilane
CID 57318195
6-(Fluoromethyl)dec-1-en-4-yloxy-trimethylsilane
CID 140333711
5-Allyl-2,2-ditert-butyl-3,4-dimethyl-oxasilolane
CID 496488
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-dimethyl-[(4S)-2-methyl-6-methylideneoct-7-en-4-yl]oxysilane
CID 11196461
tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane (CID 42612432) is tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane is C=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane?
The InChIKey is VBEKAMLHELSIHC-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H38OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h12,14-17H,2,11,13H2,1,3-10H3/t14-,15+,16-,17+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane has a molecular weight of 298.59 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R,5R,7R)-3,5,7-trimethylnon-1-en-4-yl]oxysilane is sourced from PubChem (CID 42612432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).