CID 87900155

C7H16BO3 — CID 87900155

IUPAC—
SMILESCO[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16BO3/c1-6(2,9)7(3,4)11-8-10-5/h9H,1-5H3
InChIKeyKOFYMGZLLRTKEW-UHFFFAOYSA-N
MW159.01 g/mol
LogP0.73
Rot. Bonds4

About CID 87900155

CID 87900155 (PubChem CID 87900155) has the molecular formula C7H16BO3 and a molecular weight of 159.01 g/mol.

Molecular Properties

Compound NameCID 87900155
PubChem CID87900155
Molecular FormulaC7H16BO3
Molecular Weight159.01 g/mol
Exact Mass159.12
IUPAC Name—
SMILESCO[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16BO3/c1-6(2,9)7(3,4)11-8-10-5/h9H,1-5H3
InChIKeyKOFYMGZLLRTKEW-UHFFFAOYSA-N
XLogP0.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.01
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 87900155?
The IUPAC name of CID 87900155 (CID 87900155) is not available.
What is the SMILES notation for CID 87900155?
The canonical SMILES for CID 87900155 is CO[B]OC(C)(C)C(C)(C)O.
What is the InChIKey of CID 87900155?
The InChIKey is KOFYMGZLLRTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BO3/c1-6(2,9)7(3,4)11-8-10-5/h9H,1-5H3.
What are the key properties of CID 87900155?
CID 87900155 has a molecular weight of 159.01 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87900155 is sourced from PubChem (CID 87900155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).