CID 22913647

C17H33BrSi2 — CID 22913647

IUPAC—
SMILESCCCCC[Si]1CCC([Si]2CCC(CCBr)CC2)CC1
InChIInChI=1S/C17H33BrSi2/c1-2-3-4-11-19-12-8-17(9-13-19)20-14-6-16(5-10-18)7-15-20/h16-17H,2-15H2,1H3
InChIKeyYUDGCNKOGPLBAH-UHFFFAOYSA-N
MW373.53 g/mol
LogP6.53
Rot. Bonds7

About CID 22913647

CID 22913647 (PubChem CID 22913647) has the molecular formula C17H33BrSi2 and a molecular weight of 373.53 g/mol.

Molecular Properties

Compound NameCID 22913647
PubChem CID22913647
Molecular FormulaC17H33BrSi2
Molecular Weight373.53 g/mol
Exact Mass372.13
IUPAC Name—
SMILESCCCCC[Si]1CCC([Si]2CCC(CCBr)CC2)CC1
InChIInChI=1S/C17H33BrSi2/c1-2-3-4-11-19-12-8-17(9-13-19)20-14-6-16(5-10-18)7-15-20/h16-17H,2-15H2,1H3
InChIKeyYUDGCNKOGPLBAH-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 56.53
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 CID 22913647 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

CID 22913629
CID 22913629
CID 22913907
CID 22913907
CID 23364743
CID 23364743
CID 19419990
CID 19419990
hexane;pentylcyclopropane
CID 159592467
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
CID 23364825
CID 23364825
azane;hexylcyclopropane
CID 135322230

Frequently Asked Questions

What is the IUPAC name of CID 22913647?
The IUPAC name of CID 22913647 (CID 22913647) is not available.
What is the SMILES notation for CID 22913647?
The canonical SMILES for CID 22913647 is CCCCC[Si]1CCC([Si]2CCC(CCBr)CC2)CC1.
What is the InChIKey of CID 22913647?
The InChIKey is YUDGCNKOGPLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrSi2/c1-2-3-4-11-19-12-8-17(9-13-19)20-14-6-16(5-10-18)7-15-20/h16-17H,2-15H2,1H3.
What are the key properties of CID 22913647?
CID 22913647 has a molecular weight of 373.53 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913647 is sourced from PubChem (CID 22913647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).