2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane

C19H39IO2Si — CID 24851247

IUPAC2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCCCCCC[C@H](/C=C/CCCCI)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-5-6-7-10-13-19(14-11-8-9-12-15-20)22-18-21-16-17-23(2,3)4/h11,14,19H,5-10,12-13,15-18H2,1-4H3/b14-11+/t19-/m1/s1
InChIKeyAUODDDVXITYOLO-FIIODCPWSA-N
MW454.51 g/mol
LogP6.82
Rot. Bonds16

About 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 24851247) has the molecular formula C19H39IO2Si and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID24851247
Molecular FormulaC19H39IO2Si
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCCCCCC[C@H](/C=C/CCCCI)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-5-6-7-10-13-19(14-11-8-9-12-15-20)22-18-21-16-17-23(2,3)4/h11,14,19H,5-10,12-13,15-18H2,1-4H3/b14-11+/t19-/m1/s1
InChIKeyAUODDDVXITYOLO-FIIODCPWSA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane (CID 24851247) is 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane is CCCCCC[C@H](/C=C/CCCCI)OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is AUODDDVXITYOLO-FIIODCPWSA-N. The full InChI is InChI=1S/C19H39IO2Si/c1-5-6-7-10-13-19(14-11-8-9-12-15-20)22-18-21-16-17-23(2,3)4/h11,14,19H,5-10,12-13,15-18H2,1-4H3/b14-11+/t19-/m1/s1.
What are the key properties of 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 454.51 g/mol, XLogP of 6.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 24851247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).