CID 159756489

C10H16B — CID 159756489

IUPAC—
SMILESCC(C)C.[B].c1ccccc1
InChIInChI=1S/C6H6.C4H10.B/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;4H,1-3H3;
InChIKeyDIJKIDGRLZFKPQ-UHFFFAOYSA-N
MW147.05 g/mol
LogP2.97
Rot. Bonds

About CID 159756489

CID 159756489 (PubChem CID 159756489) has the molecular formula C10H16B and a molecular weight of 147.05 g/mol.

Molecular Properties

Compound NameCID 159756489
PubChem CID159756489
Molecular FormulaC10H16B
Molecular Weight147.05 g/mol
Exact Mass147.13
IUPAC Name—
SMILESCC(C)C.[B].c1ccccc1
InChIInChI=1S/C6H6.C4H10.B/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;4H,1-3H3;
InChIKeyDIJKIDGRLZFKPQ-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.05
LogP ≤ 52.97
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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CID 169430135
benzene;bis(2-methylpropane)
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benzene;2,3-dimethylbutane;ethane
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2-methyl(213C)propane
CID 11240418
benzene;methanol;palladium
CID 175018175
CID 159310434
CID 159310434
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
cumene;2-methylpropane
CID 90828344
ethane;tetrakis(2-methylpropane)
CID 160890290
argon;2-methylpropane
CID 158681333
chromium;2-methylpropane
CID 160648898

Frequently Asked Questions

What is the IUPAC name of CID 159756489?
The IUPAC name of CID 159756489 (CID 159756489) is not available.
What is the SMILES notation for CID 159756489?
The canonical SMILES for CID 159756489 is CC(C)C.[B].c1ccccc1.
What is the InChIKey of CID 159756489?
The InChIKey is DIJKIDGRLZFKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10.B/c1-2-4-6-5-3-1;1-4(2)3;/h1-6H;4H,1-3H3;.
What are the key properties of CID 159756489?
CID 159756489 has a molecular weight of 147.05 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159756489 is sourced from PubChem (CID 159756489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).