tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane

C27H54O2Si2 — CID 13353557

IUPACtert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CCCC(OC(=C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O2Si2/c1-21-17-16-20-27(9,10)23(21)18-15-19-24(29-31(13,14)26(6,7)8)28-22(2)30(11,12)25(3,4)5/h23-24H,1-2,15-20H2,3-14H3
InChIKeyVDENGJLKYNZRPK-UHFFFAOYSA-N
MW466.90 g/mol
LogP9.47
Rot. Bonds9

About tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane

tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane (PubChem CID 13353557) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane
PubChem CID13353557
Molecular FormulaC27H54O2Si2
Molecular Weight466.90 g/mol
Exact Mass466.37
IUPAC Nametert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CCCC(OC(=C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O2Si2/c1-21-17-16-20-27(9,10)23(21)18-15-19-24(29-31(13,14)26(6,7)8)28-22(2)30(11,12)25(3,4)5/h23-24H,1-2,15-20H2,3-14H3
InChIKeyVDENGJLKYNZRPK-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020
tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
CID 11227445
tert-butyl-[[(1S,2S)-2-[(2S)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
CID 11467796

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane (CID 13353557) is tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane is C=C1CCCC(C)(C)C1CCCC(OC(=C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane?
The InChIKey is VDENGJLKYNZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si2/c1-21-17-16-20-27(9,10)23(21)18-15-19-24(29-31(13,14)26(6,7)8)28-22(2)30(11,12)25(3,4)5/h23-24H,1-2,15-20H2,3-14H3.
What are the key properties of tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane?
tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane has a molecular weight of 466.90 g/mol, XLogP of 9.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane is sourced from PubChem (CID 13353557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).