CID 59000143

C5H9BO — CID 59000143

IUPAC—
SMILES[B]CCC1COC1
InChIInChI=1S/C5H9BO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyBPBREYXDVPYSHZ-UHFFFAOYSA-N
MW95.94 g/mol
LogP0.61
Rot. Bonds2

About CID 59000143

CID 59000143 (PubChem CID 59000143) has the molecular formula C5H9BO and a molecular weight of 95.94 g/mol.

Molecular Properties

Compound NameCID 59000143
PubChem CID59000143
Molecular FormulaC5H9BO
Molecular Weight95.94 g/mol
Exact Mass96.07
IUPAC Name—
SMILES[B]CCC1COC1
InChIInChI=1S/C5H9BO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyBPBREYXDVPYSHZ-UHFFFAOYSA-N
XLogP0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.94
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2-iodoethyl)oxetane
CID 84678856
trimethoxy-[2-(oxetan-3-yl)ethyl]silane
CID 140719506
CID 88999867
CID 88999867
3-(2-ethoxyethyl)oxetane
CID 67567831
5-propyl-1,3-dioxane
CID 12697738
11-(oxetan-3-yl)undecanamide
CID 175975608
methanidyl(oxetan-3-ylmethyl)azanium
CID 155624703
3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
3-butyloxetane;3-ethyloxetan-3-ol;methane
CID 174843893
2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163969592
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
1-(oxetan-3-ylmethyl)piperidine
CID 57169736

Frequently Asked Questions

What is the IUPAC name of CID 59000143?
The IUPAC name of CID 59000143 (CID 59000143) is not available.
What is the SMILES notation for CID 59000143?
The canonical SMILES for CID 59000143 is [B]CCC1COC1.
What is the InChIKey of CID 59000143?
The InChIKey is BPBREYXDVPYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BO/c6-2-1-5-3-7-4-5/h5H,1-4H2.
What are the key properties of CID 59000143?
CID 59000143 has a molecular weight of 95.94 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59000143 is sourced from PubChem (CID 59000143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).