3-hydroxypropoxy(prop-2-enyl)borinic acid

C6H13BO3 — CID 134964642

IUPAC3-hydroxypropoxy(prop-2-enyl)borinic acid
SMILESC=CCB(O)OCCCO
InChIInChI=1S/C6H13BO3/c1-2-4-7(9)10-6-3-5-8/h2,8-9H,1,3-6H2
InChIKeyHNGJMSTWKMLQLB-UHFFFAOYSA-N
MW143.98 g/mol
LogP0.05
Rot. Bonds6

About 3-hydroxypropoxy(prop-2-enyl)borinic acid

3-hydroxypropoxy(prop-2-enyl)borinic acid (PubChem CID 134964642) has the molecular formula C6H13BO3 and a molecular weight of 143.98 g/mol. Its IUPAC name is 3-hydroxypropoxy(prop-2-enyl)borinic acid.

Molecular Properties

Compound Name3-hydroxypropoxy(prop-2-enyl)borinic acid
PubChem CID134964642
Molecular FormulaC6H13BO3
Molecular Weight143.98 g/mol
Exact Mass144.10
IUPAC Name3-hydroxypropoxy(prop-2-enyl)borinic acid
SMILESC=CCB(O)OCCCO
InChIInChI=1S/C6H13BO3/c1-2-4-7(9)10-6-3-5-8/h2,8-9H,1,3-6H2
InChIKeyHNGJMSTWKMLQLB-UHFFFAOYSA-N
XLogP0.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.98
LogP ≤ 50.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-hydroxypropoxy(prop-2-enyl)borinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexane-1,6-diol;prop-2-enoxyboronic acid
CID 88739846
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
14-ethenoxytetradecan-1-ol
CID 139931182
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
4-[ethenyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 175482734
4-hydroxybutyl acetate;prop-2-enyl acetate
CID 88766466

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropoxy(prop-2-enyl)borinic acid?
The IUPAC name of 3-hydroxypropoxy(prop-2-enyl)borinic acid (CID 134964642) is 3-hydroxypropoxy(prop-2-enyl)borinic acid.
What is the SMILES notation for 3-hydroxypropoxy(prop-2-enyl)borinic acid?
The canonical SMILES for 3-hydroxypropoxy(prop-2-enyl)borinic acid is C=CCB(O)OCCCO.
What is the InChIKey of 3-hydroxypropoxy(prop-2-enyl)borinic acid?
The InChIKey is HNGJMSTWKMLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO3/c1-2-4-7(9)10-6-3-5-8/h2,8-9H,1,3-6H2.
What are the key properties of 3-hydroxypropoxy(prop-2-enyl)borinic acid?
3-hydroxypropoxy(prop-2-enyl)borinic acid has a molecular weight of 143.98 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropoxy(prop-2-enyl)borinic acid is sourced from PubChem (CID 134964642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).