(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane

C12H25IOSi — CID 54237391

IUPAC(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane
SMILESCCCCC(C)(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyQNNMQGJWDMVGRA-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.13
Rot. Bonds7

About (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane

(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane (PubChem CID 54237391) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane
PubChem CID54237391
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane
SMILESCCCCC(C)(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyQNNMQGJWDMVGRA-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (1-iodo-4-methyloct-1-en-4-yl)oxy-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 (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane (CID 54237391) is (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane is CCCCC(C)(CC=CI)O[Si](C)(C)C.
What is the InChIKey of (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane?
The InChIKey is QNNMQGJWDMVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3.
What are the key properties of (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane?
(1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-4-methyloct-1-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 54237391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).