CID 18722884

C11H15B — CID 18722884

IUPAC—
SMILES[B]c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C11H15B/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChIKeyNAEJLFKMPDIHRO-UHFFFAOYSA-N
MW158.05 g/mol
LogP2.02
Rot. Bonds

About CID 18722884

CID 18722884 (PubChem CID 18722884) has the molecular formula C11H15B and a molecular weight of 158.05 g/mol.

Molecular Properties

Compound NameCID 18722884
PubChem CID18722884
Molecular FormulaC11H15B
Molecular Weight158.05 g/mol
Exact Mass158.13
IUPAC Name—
SMILES[B]c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C11H15B/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChIKeyNAEJLFKMPDIHRO-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 52.02
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 18722884?
The IUPAC name of CID 18722884 (CID 18722884) is not available.
What is the SMILES notation for CID 18722884?
The canonical SMILES for CID 18722884 is [B]c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of CID 18722884?
The InChIKey is NAEJLFKMPDIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15B/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3.
What are the key properties of CID 18722884?
CID 18722884 has a molecular weight of 158.05 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18722884 is sourced from PubChem (CID 18722884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).