CID 175842029

C4H12BO2 — CID 175842029

IUPAC—
SMILESO.O.[B]1CCCC1
InChIInChI=1S/C4H8B.2H2O/c1-2-4-5-3-1;;/h1-4H2;2*1H2
InChIKeySVTRJZWJLVREDL-UHFFFAOYSA-N
MW102.95 g/mol
LogP-0.33
Rot. Bonds

About CID 175842029

CID 175842029 (PubChem CID 175842029) has the molecular formula C4H12BO2 and a molecular weight of 102.95 g/mol.

Molecular Properties

Compound NameCID 175842029
PubChem CID175842029
Molecular FormulaC4H12BO2
Molecular Weight102.95 g/mol
Exact Mass103.09
IUPAC Name—
SMILESO.O.[B]1CCCC1
InChIInChI=1S/C4H8B.2H2O/c1-2-4-5-3-1;;/h1-4H2;2*1H2
InChIKeySVTRJZWJLVREDL-UHFFFAOYSA-N
XLogP-0.33
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.95
LogP ≤ 5-0.33
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 175842029?
The IUPAC name of CID 175842029 (CID 175842029) is not available.
What is the SMILES notation for CID 175842029?
The canonical SMILES for CID 175842029 is O.O.[B]1CCCC1.
What is the InChIKey of CID 175842029?
The InChIKey is SVTRJZWJLVREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8B.2H2O/c1-2-4-5-3-1;;/h1-4H2;2*1H2.
What are the key properties of CID 175842029?
CID 175842029 has a molecular weight of 102.95 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175842029 is sourced from PubChem (CID 175842029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).