tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene

C27H60O2Si — CID 158118941

IUPACtert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene
SMILESCC/C=C/CCC(C)C(C)(C)C.CCC(OC)C(C)(C)C.CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24.C8H18O.C7H18OSi/c1-6-7-8-9-10-11(2)12(3,4)5;1-6-7(9-5)8(2,3)4;1-7(2,3)9(5,6)8-4/h7-8,11H,6,9-10H2,1-5H3;7H,6H2,1-5H3;1-6H3/b8-7+;;
InChIKeyFRJDNIAFYFNKPS-MIIBGCIDSA-N
MW444.86 g/mol
LogP9.51
Rot. Bonds7

About tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene

tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene (PubChem CID 158118941) has the molecular formula C27H60O2Si and a molecular weight of 444.86 g/mol. Its IUPAC name is tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene.

Molecular Properties

Compound Nametert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene
PubChem CID158118941
Molecular FormulaC27H60O2Si
Molecular Weight444.86 g/mol
Exact Mass444.44
IUPAC Nametert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene
SMILESCC/C=C/CCC(C)C(C)(C)C.CCC(OC)C(C)(C)C.CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24.C8H18O.C7H18OSi/c1-6-7-8-9-10-11(2)12(3,4)5;1-6-7(9-5)8(2,3)4;1-7(2,3)9(5,6)8-4/h7-8,11H,6,9-10H2,1-5H3;7H,6H2,1-5H3;1-6H3/b8-7+;;
InChIKeyFRJDNIAFYFNKPS-MIIBGCIDSA-N
XLogP9.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.86
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11255807
ethenyl-dimethyl-[(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 17789835
Ethenyl-dimethyl-[3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 54142192
ethenyl-dimethyl-[(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 57810602
Triethoxy-(4-methyl-4-propan-2-ylcyclohexen-1-yl)silane
CID 67589322
Chloro-ethenyl-dimethylsilane;ethenyl-dimethyl-[3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 70252167
[(E)-5,5-bis(methoxymethyl)-6-methylhept-2-enyl]-trimethylsilane
CID 88082698
[5,5-Bis(methoxymethyl)-6-methylhept-2-enyl]-trimethylsilane
CID 139634859
tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane
CID 157269138
tert-butyl-[(Z)-2-tert-butylhex-4-enoxy]-dimethylsilane
CID 10707204
(4-Tert-butylcyclohexen-1-yl)-triethoxysilane
CID 10935490
tert-butyl-[(E)-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-2-trimethylsilylcyclopent-2-en-1-yl]prop-2-enoxy]-dimethylsilane
CID 11488207

Frequently Asked Questions

What is the IUPAC name of tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene?
The IUPAC name of tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene (CID 158118941) is tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene.
What is the SMILES notation for tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene?
The canonical SMILES for tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene is CC/C=C/CCC(C)C(C)(C)C.CCC(OC)C(C)(C)C.CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene?
The InChIKey is FRJDNIAFYFNKPS-MIIBGCIDSA-N. The full InChI is InChI=1S/C12H24.C8H18O.C7H18OSi/c1-6-7-8-9-10-11(2)12(3,4)5;1-6-7(9-5)8(2,3)4;1-7(2,3)9(5,6)8-4/h7-8,11H,6,9-10H2,1-5H3;7H,6H2,1-5H3;1-6H3/b8-7+;;.
What are the key properties of tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene?
tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene has a molecular weight of 444.86 g/mol, XLogP of 9.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methoxy-dimethylsilane;3-methoxy-2,2-dimethylpentane;(E)-7,8,8-trimethylnon-3-ene is sourced from PubChem (CID 158118941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).