[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane

C19H38O2Si2 — CID 134837952

IUPAC[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-11-12-16-15-17(20-22(5,6)7)13-14-18(16)21-23(8,9)19(2,3)4/h10,15-16,18H,1,11-14H2,2-9H3/t16-,18-/m1/s1
InChIKeyUJYBJYGVCOZGIR-SJLPKXTDSA-N
MW354.68 g/mol
LogP6.49
Rot. Bonds7

About [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane

[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134837952) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134837952
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-11-12-16-15-17(20-22(5,6)7)13-14-18(16)21-23(8,9)19(2,3)4/h10,15-16,18H,1,11-14H2,2-9H3/t16-,18-/m1/s1
InChIKeyUJYBJYGVCOZGIR-SJLPKXTDSA-N
XLogP6.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 56.49
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 [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane (CID 134837952) is [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane is C=CCC[C@@H]1C=C(O[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is UJYBJYGVCOZGIR-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-10-11-12-16-15-17(20-22(5,6)7)13-14-18(16)21-23(8,9)19(2,3)4/h10,15-16,18H,1,11-14H2,2-9H3/t16-,18-/m1/s1.
What are the key properties of [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane?
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134837952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).