CID 20591149

C12H23BSi — CID 20591149

IUPAC—
SMILESC[Si]CCCB1C2CCCC1CCC2
InChIInChI=1S/C12H23BSi/c1-14-10-4-9-13-11-5-2-6-12(13)8-3-7-11/h11-12H,2-10H2,1H3
InChIKeyIIMIKYSDNINSHP-UHFFFAOYSA-N
MW206.21 g/mol
LogP4.15
Rot. Bonds4

About CID 20591149

CID 20591149 (PubChem CID 20591149) has the molecular formula C12H23BSi and a molecular weight of 206.21 g/mol.

Molecular Properties

Compound NameCID 20591149
PubChem CID20591149
Molecular FormulaC12H23BSi
Molecular Weight206.21 g/mol
Exact Mass206.17
IUPAC Name—
SMILESC[Si]CCCB1C2CCCC1CCC2
InChIInChI=1S/C12H23BSi/c1-14-10-4-9-13-11-5-2-6-12(13)8-3-7-11/h11-12H,2-10H2,1H3
InChIKeyIIMIKYSDNINSHP-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20591149?
The IUPAC name of CID 20591149 (CID 20591149) is not available.
What is the SMILES notation for CID 20591149?
The canonical SMILES for CID 20591149 is C[Si]CCCB1C2CCCC1CCC2.
What is the InChIKey of CID 20591149?
The InChIKey is IIMIKYSDNINSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BSi/c1-14-10-4-9-13-11-5-2-6-12(13)8-3-7-11/h11-12H,2-10H2,1H3.
What are the key properties of CID 20591149?
CID 20591149 has a molecular weight of 206.21 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20591149 is sourced from PubChem (CID 20591149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).