CID 123424939

C15H30B — CID 123424939

IUPAC—
SMILES[B]1CCCCCCCCCCCCCCC1
InChIInChI=1S/C15H30B/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-15H2
InChIKeyASGFCOJNAJSFHX-UHFFFAOYSA-N
MW221.22 g/mol
LogP5.61
Rot. Bonds

About CID 123424939

CID 123424939 (PubChem CID 123424939) has the molecular formula C15H30B and a molecular weight of 221.22 g/mol.

Molecular Properties

Compound NameCID 123424939
PubChem CID123424939
Molecular FormulaC15H30B
Molecular Weight221.22 g/mol
Exact Mass221.24
IUPAC Name—
SMILES[B]1CCCCCCCCCCCCCCC1
InChIInChI=1S/C15H30B/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-15H2
InChIKeyASGFCOJNAJSFHX-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.22
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123424939?
The IUPAC name of CID 123424939 (CID 123424939) is not available.
What is the SMILES notation for CID 123424939?
The canonical SMILES for CID 123424939 is [B]1CCCCCCCCCCCCCCC1.
What is the InChIKey of CID 123424939?
The InChIKey is ASGFCOJNAJSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30B/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-15H2.
What are the key properties of CID 123424939?
CID 123424939 has a molecular weight of 221.22 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123424939 is sourced from PubChem (CID 123424939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).