4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol

C18H30O2Si2 — CID 15329994

IUPAC4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
SMILESC=CCC(O)(C#C[Si](C)(C)C)C(O)(C#C[Si](C)(C)C)CC=C
InChIInChI=1S/C18H30O2Si2/c1-9-11-17(19,13-15-21(3,4)5)18(20,12-10-2)14-16-22(6,7)8/h9-10,19-20H,1-2,11-12H2,3-8H3
InChIKeyVXTMZNQKDWXAGD-UHFFFAOYSA-N
MW334.61 g/mol
LogP3.36
Rot. Bonds5

About 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol

4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol (PubChem CID 15329994) has the molecular formula C18H30O2Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol.

Molecular Properties

Compound Name4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
PubChem CID15329994
Molecular FormulaC18H30O2Si2
Molecular Weight334.61 g/mol
Exact Mass334.18
IUPAC Name4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
SMILESC=CCC(O)(C#C[Si](C)(C)C)C(O)(C#C[Si](C)(C)C)CC=C
InChIInChI=1S/C18H30O2Si2/c1-9-11-17(19,13-15-21(3,4)5)18(20,12-10-2)14-16-22(6,7)8/h9-10,19-20H,1-2,11-12H2,3-8H3
InChIKeyVXTMZNQKDWXAGD-UHFFFAOYSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 53.36
H-Bond Donors ≤ 52
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 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol?
The IUPAC name of 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol (CID 15329994) is 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol.
What is the SMILES notation for 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol?
The canonical SMILES for 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol is C=CCC(O)(C#C[Si](C)(C)C)C(O)(C#C[Si](C)(C)C)CC=C.
What is the InChIKey of 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol?
The InChIKey is VXTMZNQKDWXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si2/c1-9-11-17(19,13-15-21(3,4)5)18(20,12-10-2)14-16-22(6,7)8/h9-10,19-20H,1-2,11-12H2,3-8H3.
What are the key properties of 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol?
4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol has a molecular weight of 334.61 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol is sourced from PubChem (CID 15329994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).