[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane

C22H36OSi — CID 122219225

IUPAC[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane
SMILESC/C=C/C=C/CO[C@@H](C#CCCCCCC)CCC#C[Si](C)(C)C
InChIInChI=1S/C22H36OSi/c1-6-8-10-12-13-14-18-22(23-20-16-11-9-7-2)19-15-17-21-24(3,4)5/h7,9,11,16,22H,6,8,10,12-13,15,19-20H2,1-5H3/b9-7+,16-11+/t22-/m0/s1
InChIKeyVATFDWWQFXPOEM-AATVJOAJSA-N
MW344.62 g/mol
LogP6.14
Rot. Bonds10

About [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane

[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane (PubChem CID 122219225) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane
PubChem CID122219225
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Name[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane
SMILESC/C=C/C=C/CO[C@@H](C#CCCCCCC)CCC#C[Si](C)(C)C
InChIInChI=1S/C22H36OSi/c1-6-8-10-12-13-14-18-22(23-20-16-11-9-7-2)19-15-17-21-24(3,4)5/h7,9,11,16,22H,6,8,10,12-13,15,19-20H2,1-5H3/b9-7+,16-11+/t22-/m0/s1
InChIKeyVATFDWWQFXPOEM-AATVJOAJSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane 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 [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane?
The IUPAC name of [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane (CID 122219225) is [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane.
What is the SMILES notation for [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane?
The canonical SMILES for [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane is C/C=C/C=C/CO[C@@H](C#CCCCCCC)CCC#C[Si](C)(C)C.
What is the InChIKey of [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane?
The InChIKey is VATFDWWQFXPOEM-AATVJOAJSA-N. The full InChI is InChI=1S/C22H36OSi/c1-6-8-10-12-13-14-18-22(23-20-16-11-9-7-2)19-15-17-21-24(3,4)5/h7,9,11,16,22H,6,8,10,12-13,15,19-20H2,1-5H3/b9-7+,16-11+/t22-/m0/s1.
What are the key properties of [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane?
[(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(2E,4E)-hexa-2,4-dienoxy]trideca-1,6-diynyl]-trimethylsilane is sourced from PubChem (CID 122219225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).