4-(bromomethyl)-1-heptylsilinane

C13H27BrSi — CID 54143052

IUPAC4-(bromomethyl)-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(CBr)CC1
InChIInChI=1S/C13H27BrSi/c1-2-3-4-5-6-9-15-10-7-13(12-14)8-11-15/h13,15H,2-12H2,1H3
InChIKeyOCKTUTYOHNLHDX-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.99
Rot. Bonds7

About 4-(bromomethyl)-1-heptylsilinane

4-(bromomethyl)-1-heptylsilinane (PubChem CID 54143052) has the molecular formula C13H27BrSi and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(bromomethyl)-1-heptylsilinane.

Molecular Properties

Compound Name4-(bromomethyl)-1-heptylsilinane
PubChem CID54143052
Molecular FormulaC13H27BrSi
Molecular Weight291.35 g/mol
Exact Mass290.11
IUPAC Name4-(bromomethyl)-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(CBr)CC1
InChIInChI=1S/C13H27BrSi/c1-2-3-4-5-6-9-15-10-7-13(12-14)8-11-15/h13,15H,2-12H2,1H3
InChIKeyOCKTUTYOHNLHDX-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze 4-(bromomethyl)-1-heptylsilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-heptylsilinan-4-yl)acetaldehyde
CID 154079941
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
1-bromo-4-butyl-1,4-disilinane
CID 172831370
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
ethane;octadecane
CID 143981738
undecane;dihydrobromide
CID 172838591
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
1-pentyl-4-[4-[(3S,6R)-6-(3,4,5-trifluorophenyl)silinan-3-yl]butyl]silinane
CID 173330653
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-heptylsilinane?
The IUPAC name of 4-(bromomethyl)-1-heptylsilinane (CID 54143052) is 4-(bromomethyl)-1-heptylsilinane.
What is the SMILES notation for 4-(bromomethyl)-1-heptylsilinane?
The canonical SMILES for 4-(bromomethyl)-1-heptylsilinane is CCCCCCC[SiH]1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-heptylsilinane?
The InChIKey is OCKTUTYOHNLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrSi/c1-2-3-4-5-6-9-15-10-7-13(12-14)8-11-15/h13,15H,2-12H2,1H3.
What are the key properties of 4-(bromomethyl)-1-heptylsilinane?
4-(bromomethyl)-1-heptylsilinane has a molecular weight of 291.35 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-heptylsilinane is sourced from PubChem (CID 54143052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).