tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

C24H48O4Si2 — CID 69007410

IUPACtert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
SMILESC=C1C(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-18-20(26-22-14-12-13-15-25-22)16-19(27-29(8,9)23(2,3)4)17-21(18)28-30(10,11)24(5,6)7/h19-22H,1,12-17H2,2-11H3/t19-,20?,21-,22?/m1/s1
InChIKeyQOALUQQEWGWHFA-BJTVZRGDSA-N
MW456.82 g/mol
LogP7.03
Rot. Bonds6

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (PubChem CID 69007410) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
PubChem CID69007410
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
SMILESC=C1C(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-18-20(26-22-14-12-13-15-25-22)16-19(27-29(8,9)23(2,3)4)17-21(18)28-30(10,11)24(5,6)7/h19-22H,1,12-17H2,2-11H3/t19-,20?,21-,22?/m1/s1
InChIKeyQOALUQQEWGWHFA-BJTVZRGDSA-N
XLogP7.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (CID 69007410) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is C=C1C(OC2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
The InChIKey is QOALUQQEWGWHFA-BJTVZRGDSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-18-20(26-22-14-12-13-15-25-22)16-19(27-29(8,9)23(2,3)4)17-21(18)28-30(10,11)24(5,6)7/h19-22H,1,12-17H2,2-11H3/t19-,20?,21-,22?/m1/s1.
What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane has a molecular weight of 456.82 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 69007410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).