tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane

C22H40O2Si2 — CID 12039068

IUPACtert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C=C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H40O2Si2/c1-13-17-15-18(23-25(9,10)21(3,4)5)16-20(19(17)14-2)24-26(11,12)22(6,7)8/h1,14,18,20H,2,15-16H2,3-12H3/t18-,20+/m1/s1
InChIKeyQDXRXROFXKRKGI-QUCCMNQESA-N
MW392.73 g/mol
LogP6.68
Rot. Bonds5

About tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 12039068) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID12039068
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C=C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H40O2Si2/c1-13-17-15-18(23-25(9,10)21(3,4)5)16-20(19(17)14-2)24-26(11,12)22(6,7)8/h1,14,18,20H,2,15-16H2,3-12H3/t18-,20+/m1/s1
InChIKeyQDXRXROFXKRKGI-QUCCMNQESA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 12039068) is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane is C#CC1=C(C=C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is QDXRXROFXKRKGI-QUCCMNQESA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-13-17-15-18(23-25(9,10)21(3,4)5)16-20(19(17)14-2)24-26(11,12)22(6,7)8/h1,14,18,20H,2,15-16H2,3-12H3/t18-,20+/m1/s1.
What are the key properties of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 392.73 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 12039068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).