CID 159436476

C10H20B2O4 — CID 159436476

IUPAC—
SMILESCCCCC(=O)O.CCCCC(=O)O.[B].[B]
InChIInChI=1S/2C5H10O2.2B/c2*1-2-3-4-5(6)7;;/h2*2-4H2,1H3,(H,6,7);;
InChIKeyLRQGXYSZIRHBQK-UHFFFAOYSA-N
MW225.89 g/mol
LogP1.76
Rot. Bonds6

About CID 159436476

CID 159436476 (PubChem CID 159436476) has the molecular formula C10H20B2O4 and a molecular weight of 225.89 g/mol.

Molecular Properties

Compound NameCID 159436476
PubChem CID159436476
Molecular FormulaC10H20B2O4
Molecular Weight225.89 g/mol
Exact Mass226.15
IUPAC Name—
SMILESCCCCC(=O)O.CCCCC(=O)O.[B].[B]
InChIInChI=1S/2C5H10O2.2B/c2*1-2-3-4-5(6)7;;/h2*2-4H2,1H3,(H,6,7);;
InChIKeyLRQGXYSZIRHBQK-UHFFFAOYSA-N
XLogP1.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.89
LogP ≤ 51.76
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

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icosane;pentanoic acid
CID 159151393
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CID 87061456
hypochlorous acid;pentanoic acid
CID 157152267
CID 174614333
CID 174614333
pentanoic acid;propan-1-ol
CID 87061359
oxalonitrile;pentanoic acid
CID 160836976
pentanoic acid;urea;hydrochloride
CID 174794672

Frequently Asked Questions

What is the IUPAC name of CID 159436476?
The IUPAC name of CID 159436476 (CID 159436476) is not available.
What is the SMILES notation for CID 159436476?
The canonical SMILES for CID 159436476 is CCCCC(=O)O.CCCCC(=O)O.[B].[B].
What is the InChIKey of CID 159436476?
The InChIKey is LRQGXYSZIRHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2.2B/c2*1-2-3-4-5(6)7;;/h2*2-4H2,1H3,(H,6,7);;.
What are the key properties of CID 159436476?
CID 159436476 has a molecular weight of 225.89 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159436476 is sourced from PubChem (CID 159436476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).