tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane

C21H42O2Si2 — CID 58846975

IUPACtert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-13-17-14-18(22-24(9,10)20(3,4)5)16(2)19(15-17)23-25(11,12)21(6,7)8/h13,18-19H,2,14-15H2,1,3-12H3/t18-,19-/m1/s1
InChIKeyAAPAPGRBFLCWLB-RTBURBONSA-N
MW382.74 g/mol
LogP7.06
Rot. Bonds4

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 58846975) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID58846975
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CC)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-13-17-14-18(22-24(9,10)20(3,4)5)16(2)19(15-17)23-25(11,12)21(6,7)8/h13,18-19H,2,14-15H2,1,3-12H3/t18-,19-/m1/s1
InChIKeyAAPAPGRBFLCWLB-RTBURBONSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 57.06
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane (CID 58846975) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CC)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-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is AAPAPGRBFLCWLB-RTBURBONSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-13-17-14-18(22-24(9,10)20(3,4)5)16(2)19(15-17)23-25(11,12)21(6,7)8/h13,18-19H,2,14-15H2,1,3-12H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 58846975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).