CID 91530241

C5H10B4O2 — CID 91530241

IUPAC—
SMILESCCCCC(=O)O.[B]B([B])[B]
InChIInChI=1S/C5H10O2.B4/c1-2-3-4-5(6)7;1-4(2)3/h2-4H2,1H3,(H,6,7);
InChIKeyFBVOIVXUWIVEKW-UHFFFAOYSA-N
MW145.38 g/mol
LogP-0.26
Rot. Bonds3

About CID 91530241

CID 91530241 (PubChem CID 91530241) has the molecular formula C5H10B4O2 and a molecular weight of 145.38 g/mol.

Molecular Properties

Compound NameCID 91530241
PubChem CID91530241
Molecular FormulaC5H10B4O2
Molecular Weight145.38 g/mol
Exact Mass146.11
IUPAC Name—
SMILESCCCCC(=O)O.[B]B([B])[B]
InChIInChI=1S/C5H10O2.B4/c1-2-3-4-5(6)7;1-4(2)3/h2-4H2,1H3,(H,6,7);
InChIKeyFBVOIVXUWIVEKW-UHFFFAOYSA-N
XLogP-0.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 91530241?
The IUPAC name of CID 91530241 (CID 91530241) is not available.
What is the SMILES notation for CID 91530241?
The canonical SMILES for CID 91530241 is CCCCC(=O)O.[B]B([B])[B].
What is the InChIKey of CID 91530241?
The InChIKey is FBVOIVXUWIVEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.B4/c1-2-3-4-5(6)7;1-4(2)3/h2-4H2,1H3,(H,6,7);.
What are the key properties of CID 91530241?
CID 91530241 has a molecular weight of 145.38 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91530241 is sourced from PubChem (CID 91530241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).