CID 58183700

C8H14BO2 — CID 58183700

IUPAC—
SMILESOC12CCCC1[B]CCCO2
InChIInChI=1S/C8H14BO2/c10-8-4-1-3-7(8)9-5-2-6-11-8/h7,10H,1-6H2
InChIKeyQSWSCVXUJKWSOJ-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.19
Rot. Bonds

About CID 58183700

CID 58183700 (PubChem CID 58183700) has the molecular formula C8H14BO2 and a molecular weight of 153.01 g/mol.

Molecular Properties

Compound NameCID 58183700
PubChem CID58183700
Molecular FormulaC8H14BO2
Molecular Weight153.01 g/mol
Exact Mass153.11
IUPAC Name—
SMILESOC12CCCC1[B]CCCO2
InChIInChI=1S/C8H14BO2/c10-8-4-1-3-7(8)9-5-2-6-11-8/h7,10H,1-6H2
InChIKeyQSWSCVXUJKWSOJ-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 58183700?
The IUPAC name of CID 58183700 (CID 58183700) is not available.
What is the SMILES notation for CID 58183700?
The canonical SMILES for CID 58183700 is OC12CCCC1[B]CCCO2.
What is the InChIKey of CID 58183700?
The InChIKey is QSWSCVXUJKWSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BO2/c10-8-4-1-3-7(8)9-5-2-6-11-8/h7,10H,1-6H2.
What are the key properties of CID 58183700?
CID 58183700 has a molecular weight of 153.01 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58183700 is sourced from PubChem (CID 58183700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).