CID 22714862

C3H8BO3 — CID 22714862

IUPAC—
SMILESO[B]OCCCO
InChIInChI=1S/C3H8BO3/c5-2-1-3-7-4-6/h5-6H,1-3H2
InChIKeyHRZNRNWFBDOWHM-UHFFFAOYSA-N
MW102.91 g/mol
LogP-1.09
Rot. Bonds4

About CID 22714862

CID 22714862 (PubChem CID 22714862) has the molecular formula C3H8BO3 and a molecular weight of 102.91 g/mol.

Molecular Properties

Compound NameCID 22714862
PubChem CID22714862
Molecular FormulaC3H8BO3
Molecular Weight102.91 g/mol
Exact Mass103.06
IUPAC Name—
SMILESO[B]OCCCO
InChIInChI=1S/C3H8BO3/c5-2-1-3-7-4-6/h5-6H,1-3H2
InChIKeyHRZNRNWFBDOWHM-UHFFFAOYSA-N
XLogP-1.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.91
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(iodomethoxy)propan-1-ol
CID 89078157
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-hydroxypropoxymethanediol
CID 54044719
9-sulfanylnonan-1-ol
CID 46201499
35-sulfanylpentatriacontan-1-ol
CID 87682399
25-sulfanylpentacosan-1-ol
CID 87683418
CID 174954597
CID 174954597
3-(methylaminooxy)propan-1-ol
CID 117126701
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299

Frequently Asked Questions

What is the IUPAC name of CID 22714862?
The IUPAC name of CID 22714862 (CID 22714862) is not available.
What is the SMILES notation for CID 22714862?
The canonical SMILES for CID 22714862 is O[B]OCCCO.
What is the InChIKey of CID 22714862?
The InChIKey is HRZNRNWFBDOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BO3/c5-2-1-3-7-4-6/h5-6H,1-3H2.
What are the key properties of CID 22714862?
CID 22714862 has a molecular weight of 102.91 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22714862 is sourced from PubChem (CID 22714862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).