CID 134903467

C18H33BK — CID 134903467

IUPAC—
SMILESC1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[K+]
InChIInChI=1S/C18H33B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1
InChIKeyLJEBSGNCHUUNCH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.49
Rot. Bonds3

About CID 134903467

CID 134903467 (PubChem CID 134903467) has the molecular formula C18H33BK and a molecular weight of 299.37 g/mol.

Molecular Properties

Compound NameCID 134903467
PubChem CID134903467
Molecular FormulaC18H33BK
Molecular Weight299.37 g/mol
Exact Mass299.23
IUPAC Name—
SMILESC1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[K+]
InChIInChI=1S/C18H33B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1
InChIKeyLJEBSGNCHUUNCH-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.49
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 134903467?
The IUPAC name of CID 134903467 (CID 134903467) is not available.
What is the SMILES notation for CID 134903467?
The canonical SMILES for CID 134903467 is C1CCC([B-](C2CCCCC2)C2CCCCC2)CC1.[K+].
What is the InChIKey of CID 134903467?
The InChIKey is LJEBSGNCHUUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/q-1;+1.
What are the key properties of CID 134903467?
CID 134903467 has a molecular weight of 299.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903467 is sourced from PubChem (CID 134903467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).