1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol

C18H36O2Si2 — CID 76808392

IUPAC1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
SMILESCC(C)[Si](OCC=CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-10-11-18(19)12-14-21(7,8)9/h10-11,15-19H,13H2,1-9H3
InChIKeyLYWWNGQCWYQBNA-UHFFFAOYSA-N
MW340.66 g/mol
LogP4.98
Rot. Bonds7

About 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol

1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol (PubChem CID 76808392) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol.

Molecular Properties

Compound Name1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
PubChem CID76808392
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Name1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
SMILESCC(C)[Si](OCC=CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-10-11-18(19)12-14-21(7,8)9/h10-11,15-19H,13H2,1-9H3
InChIKeyLYWWNGQCWYQBNA-UHFFFAOYSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol 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 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The IUPAC name of 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol (CID 76808392) is 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol.
What is the SMILES notation for 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The canonical SMILES for 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol is CC(C)[Si](OCC=CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The InChIKey is LYWWNGQCWYQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-15(2)22(16(3)4,17(5)6)20-13-10-11-18(19)12-14-21(7,8)9/h10-11,15-19H,13H2,1-9H3.
What are the key properties of 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol has a molecular weight of 340.66 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol is sourced from PubChem (CID 76808392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).