CID 58231913

C10H22B — CID 58231913

IUPAC—
SMILESCC(C)(C)C[B]CC(C)(C)C
InChIInChI=1S/C10H22B/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3
InChIKeyMBNOHRXYZPBQDU-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.62
Rot. Bonds2

About CID 58231913

CID 58231913 (PubChem CID 58231913) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameCID 58231913
PubChem CID58231913
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESCC(C)(C)C[B]CC(C)(C)C
InChIInChI=1S/C10H22B/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3
InChIKeyMBNOHRXYZPBQDU-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.62
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 58231913?
The IUPAC name of CID 58231913 (CID 58231913) is not available.
What is the SMILES notation for CID 58231913?
The canonical SMILES for CID 58231913 is CC(C)(C)C[B]CC(C)(C)C.
What is the InChIKey of CID 58231913?
The InChIKey is MBNOHRXYZPBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of CID 58231913?
CID 58231913 has a molecular weight of 153.10 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58231913 is sourced from PubChem (CID 58231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).