CID 174647360

C13H23BCl — CID 174647360

IUPAC—
SMILESClC(C1CCCCC1)C1CCCCC1.[B]
InChIInChI=1S/C13H23Cl.B/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-13H,1-10H2;
InChIKeyUGWRJLDYMUHHJW-UHFFFAOYSA-N
MW225.59 g/mol
LogP4.37
Rot. Bonds2

About CID 174647360

CID 174647360 (PubChem CID 174647360) has the molecular formula C13H23BCl and a molecular weight of 225.59 g/mol.

Molecular Properties

Compound NameCID 174647360
PubChem CID174647360
Molecular FormulaC13H23BCl
Molecular Weight225.59 g/mol
Exact Mass225.16
IUPAC Name—
SMILESClC(C1CCCCC1)C1CCCCC1.[B]
InChIInChI=1S/C13H23Cl.B/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-13H,1-10H2;
InChIKeyUGWRJLDYMUHHJW-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174647360?
The IUPAC name of CID 174647360 (CID 174647360) is not available.
What is the SMILES notation for CID 174647360?
The canonical SMILES for CID 174647360 is ClC(C1CCCCC1)C1CCCCC1.[B].
What is the InChIKey of CID 174647360?
The InChIKey is UGWRJLDYMUHHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl.B/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-13H,1-10H2;.
What are the key properties of CID 174647360?
CID 174647360 has a molecular weight of 225.59 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174647360 is sourced from PubChem (CID 174647360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).