CID 20601392

C7H15B — CID 20601392

IUPAC—
SMILES[B]CC(C)(CC)CC
InChIInChI=1S/C7H15B/c1-4-7(3,5-2)6-8/h4-6H2,1-3H3
InChIKeyVWVNMWAVLJWWRG-UHFFFAOYSA-N
MW110.01 g/mol
LogP2.40
Rot. Bonds3

About CID 20601392

CID 20601392 (PubChem CID 20601392) has the molecular formula C7H15B and a molecular weight of 110.01 g/mol.

Molecular Properties

Compound NameCID 20601392
PubChem CID20601392
Molecular FormulaC7H15B
Molecular Weight110.01 g/mol
Exact Mass110.13
IUPAC Name—
SMILES[B]CC(C)(CC)CC
InChIInChI=1S/C7H15B/c1-4-7(3,5-2)6-8/h4-6H2,1-3H3
InChIKeyVWVNMWAVLJWWRG-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.01
LogP ≤ 52.40
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 21036025
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Frequently Asked Questions

What is the IUPAC name of CID 20601392?
The IUPAC name of CID 20601392 (CID 20601392) is not available.
What is the SMILES notation for CID 20601392?
The canonical SMILES for CID 20601392 is [B]CC(C)(CC)CC.
What is the InChIKey of CID 20601392?
The InChIKey is VWVNMWAVLJWWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15B/c1-4-7(3,5-2)6-8/h4-6H2,1-3H3.
What are the key properties of CID 20601392?
CID 20601392 has a molecular weight of 110.01 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20601392 is sourced from PubChem (CID 20601392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).