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

C18H36O2Si2 — CID 58510404

IUPAC(E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
SMILESCC(C)[Si](OC/C=C/C(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/b11-10+
InChIKeyLYWWNGQCWYQBNA-ZHACJKMWSA-N
MW340.66 g/mol
LogP4.98
Rot. Bonds7

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

(E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol (PubChem CID 58510404) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
PubChem CID58510404
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Name(E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol
SMILESCC(C)[Si](OC/C=C/C(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/b11-10+
InChIKeyLYWWNGQCWYQBNA-ZHACJKMWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The IUPAC name of (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol (CID 58510404) is (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The canonical SMILES for (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol is CC(C)[Si](OC/C=C/C(O)C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
The InChIKey is LYWWNGQCWYQBNA-ZHACJKMWSA-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/b11-10+.
What are the key properties of (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol?
(E)-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 (E)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-4-en-1-yn-3-ol is sourced from PubChem (CID 58510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).