[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane

C19H32OSi — CID 10935620

IUPAC[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC#C/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H32OSi/c1-10-11-12-17-15(2)13-16(14-19(17,6)7)20-21(8,9)18(3,4)5/h1,11-12,16H,13-14H2,2-9H3/b12-11+/t16-/m1/s1
InChIKeyZCXUHAXQLAVFOZ-LPQFERQCSA-N
MW304.55 g/mol
LogP5.70
Rot. Bonds3

About [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10935620) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10935620
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC#C/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H32OSi/c1-10-11-12-17-15(2)13-16(14-19(17,6)7)20-21(8,9)18(3,4)5/h1,11-12,16H,13-14H2,2-9H3/b12-11+/t16-/m1/s1
InChIKeyZCXUHAXQLAVFOZ-LPQFERQCSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-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 [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 10935620) is [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane is C#C/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZCXUHAXQLAVFOZ-LPQFERQCSA-N. The full InChI is InChI=1S/C19H32OSi/c1-10-11-12-17-15(2)13-16(14-19(17,6)7)20-21(8,9)18(3,4)5/h1,11-12,16H,13-14H2,2-9H3/b12-11+/t16-/m1/s1.
What are the key properties of [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 304.55 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10935620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).