CID 174073154

C5H11BO2 — CID 174073154

IUPAC—
SMILES[B]CC(C)(CO)CO
InChIInChI=1S/C5H11BO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3
InChIKeyFUJFLOMVYBPQEW-UHFFFAOYSA-N
MW113.95 g/mol
LogP-0.44
Rot. Bonds3

About CID 174073154

CID 174073154 (PubChem CID 174073154) has the molecular formula C5H11BO2 and a molecular weight of 113.95 g/mol.

Molecular Properties

Compound NameCID 174073154
PubChem CID174073154
Molecular FormulaC5H11BO2
Molecular Weight113.95 g/mol
Exact Mass114.09
IUPAC Name—
SMILES[B]CC(C)(CO)CO
InChIInChI=1S/C5H11BO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3
InChIKeyFUJFLOMVYBPQEW-UHFFFAOYSA-N
XLogP-0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.95
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
CID 20601392
CID 20601392
2-(iodomethyl)-2-methylpropane-1,3-diol
CID 119096580
carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)
CID 20682178
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
alumane;2,2-dimethylpropan-1-ol
CID 174479314
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
CID 101008229
bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (E)-but-2-enedioate
CID 6450435

Frequently Asked Questions

What is the IUPAC name of CID 174073154?
The IUPAC name of CID 174073154 (CID 174073154) is not available.
What is the SMILES notation for CID 174073154?
The canonical SMILES for CID 174073154 is [B]CC(C)(CO)CO.
What is the InChIKey of CID 174073154?
The InChIKey is FUJFLOMVYBPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3.
What are the key properties of CID 174073154?
CID 174073154 has a molecular weight of 113.95 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174073154 is sourced from PubChem (CID 174073154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).