CID 173488046

C13H17B — CID 173488046

IUPAC—
SMILES[B]c1cc(C2CC2)cc(C(C)C)c1C
InChIInChI=1S/C13H17B/c1-8(2)12-6-11(10-4-5-10)7-13(14)9(12)3/h6-8,10H,4-5H2,1-3H3
InChIKeyWWXHDYGBYLIDLF-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.79
Rot. Bonds2

About CID 173488046

CID 173488046 (PubChem CID 173488046) has the molecular formula C13H17B and a molecular weight of 184.09 g/mol.

Molecular Properties

Compound NameCID 173488046
PubChem CID173488046
Molecular FormulaC13H17B
Molecular Weight184.09 g/mol
Exact Mass184.14
IUPAC Name—
SMILES[B]c1cc(C2CC2)cc(C(C)C)c1C
InChIInChI=1S/C13H17B/c1-8(2)12-6-11(10-4-5-10)7-13(14)9(12)3/h6-8,10H,4-5H2,1-3H3
InChIKeyWWXHDYGBYLIDLF-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.79
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 173488046?
The IUPAC name of CID 173488046 (CID 173488046) is not available.
What is the SMILES notation for CID 173488046?
The canonical SMILES for CID 173488046 is [B]c1cc(C2CC2)cc(C(C)C)c1C.
What is the InChIKey of CID 173488046?
The InChIKey is WWXHDYGBYLIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17B/c1-8(2)12-6-11(10-4-5-10)7-13(14)9(12)3/h6-8,10H,4-5H2,1-3H3.
What are the key properties of CID 173488046?
CID 173488046 has a molecular weight of 184.09 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173488046 is sourced from PubChem (CID 173488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).