1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one

C14H29IOSi — CID 11035980

IUPAC1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one
SMILESCCCCCCC(I)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-9-10-11-12(15)13(16)17(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyQQZNIQHFAFUOBZ-UHFFFAOYSA-N
MW368.38 g/mol
LogP5.38
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one

1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one (PubChem CID 11035980) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one
PubChem CID11035980
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one
SMILESCCCCCCC(I)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29IOSi/c1-7-8-9-10-11-12(15)13(16)17(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyQQZNIQHFAFUOBZ-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'iodine', 'substructure': 'N/A'}

Analyze 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one 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-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one (CID 11035980) is 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one is CCCCCCC(I)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one?
The InChIKey is QQZNIQHFAFUOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-7-8-9-10-11-12(15)13(16)17(5,6)14(2,3)4/h12H,7-11H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one?
1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one has a molecular weight of 368.38 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-iodooctan-1-one is sourced from PubChem (CID 11035980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).