trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane

C21H42OSi — CID 15635192

IUPACtrimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane
SMILESCCCCC/C=C\C/C=C\CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h9-10,12-13H,5-8,11,14-21H2,1-4H3/b10-9-,13-12-
InChIKeyHETYFTDJRLLTQS-UTJQPWESSA-N
MW338.65 g/mol
LogP7.65
Rot. Bonds16

About trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane

trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane (PubChem CID 15635192) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane
PubChem CID15635192
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Nametrimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane
SMILESCCCCC/C=C\C/C=C\CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h9-10,12-13H,5-8,11,14-21H2,1-4H3/b10-9-,13-12-
InChIKeyHETYFTDJRLLTQS-UTJQPWESSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.65
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane?
The IUPAC name of trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane (CID 15635192) is trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane.
What is the SMILES notation for trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane?
The canonical SMILES for trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane is CCCCC/C=C\C/C=C\CCCCCCCCO[Si](C)(C)C.
What is the InChIKey of trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane?
The InChIKey is HETYFTDJRLLTQS-UTJQPWESSA-N. The full InChI is InChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h9-10,12-13H,5-8,11,14-21H2,1-4H3/b10-9-,13-12-.
What are the key properties of trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane?
trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane has a molecular weight of 338.65 g/mol, XLogP of 7.65, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]silane is sourced from PubChem (CID 15635192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).