CID 89015783

C6H9B3O — CID 89015783

IUPAC—
SMILES[B]CC1OCCC([B])[C@@H]1[B]
InChIInChI=1S/C6H9B3O/c7-3-5-6(9)4(8)1-2-10-5/h4-6H,1-3H2/t4?,5?,6-/m0/s1
InChIKeyCCSMERLJJLBERC-WRVKLSGPSA-N
MW129.57 g/mol
LogP0.28
Rot. Bonds1

About CID 89015783

CID 89015783 (PubChem CID 89015783) has the molecular formula C6H9B3O and a molecular weight of 129.57 g/mol.

Molecular Properties

Compound NameCID 89015783
PubChem CID89015783
Molecular FormulaC6H9B3O
Molecular Weight129.57 g/mol
Exact Mass130.09
IUPAC Name—
SMILES[B]CC1OCCC([B])[C@@H]1[B]
InChIInChI=1S/C6H9B3O/c7-3-5-6(9)4(8)1-2-10-5/h4-6H,1-3H2/t4?,5?,6-/m0/s1
InChIKeyCCSMERLJJLBERC-WRVKLSGPSA-N
XLogP0.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89015783?
The IUPAC name of CID 89015783 (CID 89015783) is not available.
What is the SMILES notation for CID 89015783?
The canonical SMILES for CID 89015783 is [B]CC1OCCC([B])[C@@H]1[B].
What is the InChIKey of CID 89015783?
The InChIKey is CCSMERLJJLBERC-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H9B3O/c7-3-5-6(9)4(8)1-2-10-5/h4-6H,1-3H2/t4?,5?,6-/m0/s1.
What are the key properties of CID 89015783?
CID 89015783 has a molecular weight of 129.57 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89015783 is sourced from PubChem (CID 89015783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).