CID 174862335

C5H10BO — CID 174862335

IUPAC—
SMILESCOC1=CCC1.[B].[H][H]
InChIInChI=1S/C5H8O.B.H2/c1-6-5-3-2-4-5;;/h3H,2,4H2,1H3;;1H
InChIKeyUUGJNMDOAWAZOR-UHFFFAOYSA-N
MW96.95 g/mol
LogP1.18
Rot. Bonds1

About CID 174862335

CID 174862335 (PubChem CID 174862335) has the molecular formula C5H10BO and a molecular weight of 96.95 g/mol.

Molecular Properties

Compound NameCID 174862335
PubChem CID174862335
Molecular FormulaC5H10BO
Molecular Weight96.95 g/mol
Exact Mass97.08
IUPAC Name—
SMILESCOC1=CCC1.[B].[H][H]
InChIInChI=1S/C5H8O.B.H2/c1-6-5-3-2-4-5;;/h3H,2,4H2,1H3;;1H
InChIKeyUUGJNMDOAWAZOR-UHFFFAOYSA-N
XLogP1.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.95
LogP ≤ 51.18
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 174862335?
The IUPAC name of CID 174862335 (CID 174862335) is not available.
What is the SMILES notation for CID 174862335?
The canonical SMILES for CID 174862335 is COC1=CCC1.[B].[H][H].
What is the InChIKey of CID 174862335?
The InChIKey is UUGJNMDOAWAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.B.H2/c1-6-5-3-2-4-5;;/h3H,2,4H2,1H3;;1H.
What are the key properties of CID 174862335?
CID 174862335 has a molecular weight of 96.95 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174862335 is sourced from PubChem (CID 174862335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).