trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane

C22H44OSi — CID 11110963

IUPACtrimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane
SMILESCCCCCCCCO/C=C\C/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H44OSi/c1-6-8-10-12-13-15-19-23-20-16-18-22(21-24(3,4)5)17-14-11-9-7-2/h16,20-21H,6-15,17-19H2,1-5H3/b20-16-,22-21+
InChIKeyPTCUASSMSCNWJL-MWFONDISSA-N
MW352.68 g/mol
LogP8.04
Rot. Bonds16

About trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane

trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane (PubChem CID 11110963) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane
PubChem CID11110963
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametrimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane
SMILESCCCCCCCCO/C=C\C/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H44OSi/c1-6-8-10-12-13-15-19-23-20-16-18-22(21-24(3,4)5)17-14-11-9-7-2/h16,20-21H,6-15,17-19H2,1-5H3/b20-16-,22-21+
InChIKeyPTCUASSMSCNWJL-MWFONDISSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane (CID 11110963) is trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane is CCCCCCCCO/C=C\C/C(=C/[Si](C)(C)C)CCCCCC.
What is the InChIKey of trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane?
The InChIKey is PTCUASSMSCNWJL-MWFONDISSA-N. The full InChI is InChI=1S/C22H44OSi/c1-6-8-10-12-13-15-19-23-20-16-18-22(21-24(3,4)5)17-14-11-9-7-2/h16,20-21H,6-15,17-19H2,1-5H3/b20-16-,22-21+.
What are the key properties of trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane?
trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane has a molecular weight of 352.68 g/mol, XLogP of 8.04, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane is sourced from PubChem (CID 11110963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).