tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane

C28H54OSi — CID 139263604

IUPACtert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
SMILESC=CCC[C@](C)(/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54OSi/c1-11-12-18-28(8,19-13-14-21-29-30(9,10)27(5,6)7)20-17-25-22-24(4)15-16-26(25)23(2)3/h11,17,20,23-26H,1,12-16,18-19,21-22H2,2-10H3/b20-17+/t24-,25-,26+,28+/m1/s1
InChIKeyYSISLTGBLITOFS-YUCWIUAPSA-N
MW434.83 g/mol
LogP9.42
Rot. Bonds12

About tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane

tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane (PubChem CID 139263604) has the molecular formula C28H54OSi and a molecular weight of 434.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
PubChem CID139263604
Molecular FormulaC28H54OSi
Molecular Weight434.83 g/mol
Exact Mass434.39
IUPAC Nametert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
SMILESC=CCC[C@](C)(/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54OSi/c1-11-12-18-28(8,19-13-14-21-29-30(9,10)27(5,6)7)20-17-25-22-24(4)15-16-26(25)23(2)3/h11,17,20,23-26H,1,12-16,18-19,21-22H2,2-10H3/b20-17+/t24-,25-,26+,28+/m1/s1
InChIKeyYSISLTGBLITOFS-YUCWIUAPSA-N
XLogP9.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.83
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 134855624
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
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CID 134897709
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
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tert-butyl-dimethyl-[4-[(1R)-1-methylcyclopent-2-en-1-yl]butoxy]silane
CID 139263605
7,8-Bis-(((t-butyldimethylsilyl)oxy)methyl)tricyclo[4.2.2.02,5]deca-3,9-diene
CID 157660025
tert-butyl-dimethyl-[[(1R,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 10685251
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CID 101588381
(3-Butyl-4,4-dimethylcyclohexen-1-yl)oxy-triethylsilane
CID 101998070

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane (CID 139263604) is tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane is C=CCC[C@](C)(/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane?
The InChIKey is YSISLTGBLITOFS-YUCWIUAPSA-N. The full InChI is InChI=1S/C28H54OSi/c1-11-12-18-28(8,19-13-14-21-29-30(9,10)27(5,6)7)20-17-25-22-24(4)15-16-26(25)23(2)3/h11,17,20,23-26H,1,12-16,18-19,21-22H2,2-10H3/b20-17+/t24-,25-,26+,28+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane?
tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane has a molecular weight of 434.83 g/mol, XLogP of 9.42, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane is sourced from PubChem (CID 139263604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).