CID 160937062

C12H17BrSi — CID 160937062

IUPAC—
SMILESCCCc1cccc(Br)c1CCC.[Si]
InChIInChI=1S/C12H17Br.Si/c1-3-6-10-8-5-9-12(13)11(10)7-4-2;/h5,8-9H,3-4,6-7H2,1-2H3;
InChIKeyCHABWUWJXDUDDF-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.97
Rot. Bonds4

About CID 160937062

CID 160937062 (PubChem CID 160937062) has the molecular formula C12H17BrSi and a molecular weight of 269.26 g/mol.

Molecular Properties

Compound NameCID 160937062
PubChem CID160937062
Molecular FormulaC12H17BrSi
Molecular Weight269.26 g/mol
Exact Mass268.03
IUPAC Name—
SMILESCCCc1cccc(Br)c1CCC.[Si]
InChIInChI=1S/C12H17Br.Si/c1-3-6-10-8-5-9-12(13)11(10)7-4-2;/h5,8-9H,3-4,6-7H2,1-2H3;
InChIKeyCHABWUWJXDUDDF-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 160937062?
The IUPAC name of CID 160937062 (CID 160937062) is not available.
What is the SMILES notation for CID 160937062?
The canonical SMILES for CID 160937062 is CCCc1cccc(Br)c1CCC.[Si].
What is the InChIKey of CID 160937062?
The InChIKey is CHABWUWJXDUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br.Si/c1-3-6-10-8-5-9-12(13)11(10)7-4-2;/h5,8-9H,3-4,6-7H2,1-2H3;.
What are the key properties of CID 160937062?
CID 160937062 has a molecular weight of 269.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160937062 is sourced from PubChem (CID 160937062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).