CID 146783514

C8H17B2O3 — CID 146783514

IUPAC—
SMILESCCO[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H17B2O3/c1-6-11-9-10-12-7(2,3)8(4,5)13-10/h6H2,1-5H3
InChIKeyCLWJDSNIAKOQKT-UHFFFAOYSA-N
MW182.84 g/mol
LogP1.23
Rot. Bonds3

About CID 146783514

CID 146783514 (PubChem CID 146783514) has the molecular formula C8H17B2O3 and a molecular weight of 182.84 g/mol.

Molecular Properties

Compound NameCID 146783514
PubChem CID146783514
Molecular FormulaC8H17B2O3
Molecular Weight182.84 g/mol
Exact Mass183.14
IUPAC Name—
SMILESCCO[B]B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H17B2O3/c1-6-11-9-10-12-7(2,3)8(4,5)13-10/h6H2,1-5H3
InChIKeyCLWJDSNIAKOQKT-UHFFFAOYSA-N
XLogP1.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.84
LogP ≤ 51.23
H-Bond Donors ≤ 50
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 146783514?
The IUPAC name of CID 146783514 (CID 146783514) is not available.
What is the SMILES notation for CID 146783514?
The canonical SMILES for CID 146783514 is CCO[B]B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 146783514?
The InChIKey is CLWJDSNIAKOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17B2O3/c1-6-11-9-10-12-7(2,3)8(4,5)13-10/h6H2,1-5H3.
What are the key properties of CID 146783514?
CID 146783514 has a molecular weight of 182.84 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146783514 is sourced from PubChem (CID 146783514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).