CID 169120149

C5H10BO — CID 169120149

IUPAC—
SMILESC[B]CCCC=O
InChIInChI=1S/C5H10BO/c1-6-4-2-3-5-7/h5H,2-4H2,1H3
InChIKeyUYUQVEAYWAJCHX-UHFFFAOYSA-N
MW96.95 g/mol
LogP1.14
Rot. Bonds4

About CID 169120149

CID 169120149 (PubChem CID 169120149) has the molecular formula C5H10BO and a molecular weight of 96.95 g/mol.

Molecular Properties

Compound NameCID 169120149
PubChem CID169120149
Molecular FormulaC5H10BO
Molecular Weight96.95 g/mol
Exact Mass97.08
IUPAC Name—
SMILESC[B]CCCC=O
InChIInChI=1S/C5H10BO/c1-6-4-2-3-5-7/h5H,2-4H2,1H3
InChIKeyUYUQVEAYWAJCHX-UHFFFAOYSA-N
XLogP1.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.95
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 169120149 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

pentadecanedial
CID 22887412
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
hydrazine;pentanedial
CID 19882033
neodymium;pentanal
CID 87838749
butanal;pentanedial
CID 87991120
pentanal;stannane
CID 173131916
methyl(5-oxopentyl)azanide;vanadium
CID 168958729
pentanal;silver;vanadium
CID 87225713
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753

Frequently Asked Questions

What is the IUPAC name of CID 169120149?
The IUPAC name of CID 169120149 (CID 169120149) is not available.
What is the SMILES notation for CID 169120149?
The canonical SMILES for CID 169120149 is C[B]CCCC=O.
What is the InChIKey of CID 169120149?
The InChIKey is UYUQVEAYWAJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BO/c1-6-4-2-3-5-7/h5H,2-4H2,1H3.
What are the key properties of CID 169120149?
CID 169120149 has a molecular weight of 96.95 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169120149 is sourced from PubChem (CID 169120149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).