CID 173298990

C12H24B — CID 173298990

IUPAC—
SMILES[B](C1CCCCC1)C1CCCCC1.[H][H]
InChIInChI=1S/C12H22B.H2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-12H,1-10H2;1H
InChIKeyKXIXDOXBRAUXMH-UHFFFAOYSA-N
MW179.14 g/mol
LogP4.44
Rot. Bonds2

About CID 173298990

CID 173298990 (PubChem CID 173298990) has the molecular formula C12H24B and a molecular weight of 179.14 g/mol.

Molecular Properties

Compound NameCID 173298990
PubChem CID173298990
Molecular FormulaC12H24B
Molecular Weight179.14 g/mol
Exact Mass179.20
IUPAC Name—
SMILES[B](C1CCCCC1)C1CCCCC1.[H][H]
InChIInChI=1S/C12H22B.H2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-12H,1-10H2;1H
InChIKeyKXIXDOXBRAUXMH-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 54.44
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 173298990?
The IUPAC name of CID 173298990 (CID 173298990) is not available.
What is the SMILES notation for CID 173298990?
The canonical SMILES for CID 173298990 is [B](C1CCCCC1)C1CCCCC1.[H][H].
What is the InChIKey of CID 173298990?
The InChIKey is KXIXDOXBRAUXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22B.H2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-12H,1-10H2;1H.
What are the key properties of CID 173298990?
CID 173298990 has a molecular weight of 179.14 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173298990 is sourced from PubChem (CID 173298990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).