CID 174031150

C13H18B2 — CID 174031150

IUPAC—
SMILES[B]c1cc(C(C)(C)C)c([B])cc1C(C)C
InChIInChI=1S/C13H18B2/c1-8(2)9-6-12(15)10(7-11(9)14)13(3,4)5/h6-8H,1-5H3
InChIKeySRYZDAQAZDMSMW-UHFFFAOYSA-N
MW195.91 g/mol
LogP1.70
Rot. Bonds1

About CID 174031150

CID 174031150 (PubChem CID 174031150) has the molecular formula C13H18B2 and a molecular weight of 195.91 g/mol.

Molecular Properties

Compound NameCID 174031150
PubChem CID174031150
Molecular FormulaC13H18B2
Molecular Weight195.91 g/mol
Exact Mass196.16
IUPAC Name—
SMILES[B]c1cc(C(C)(C)C)c([B])cc1C(C)C
InChIInChI=1S/C13H18B2/c1-8(2)9-6-12(15)10(7-11(9)14)13(3,4)5/h6-8H,1-5H3
InChIKeySRYZDAQAZDMSMW-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.91
LogP ≤ 51.70
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 174031150?
The IUPAC name of CID 174031150 (CID 174031150) is not available.
What is the SMILES notation for CID 174031150?
The canonical SMILES for CID 174031150 is [B]c1cc(C(C)(C)C)c([B])cc1C(C)C.
What is the InChIKey of CID 174031150?
The InChIKey is SRYZDAQAZDMSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18B2/c1-8(2)9-6-12(15)10(7-11(9)14)13(3,4)5/h6-8H,1-5H3.
What are the key properties of CID 174031150?
CID 174031150 has a molecular weight of 195.91 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174031150 is sourced from PubChem (CID 174031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).