CID 123234471

C6H13BO3 — CID 123234471

IUPAC—
SMILES[B]C(CO)CC(CO)CO
InChIInChI=1S/C6H13BO3/c7-6(4-10)1-5(2-8)3-9/h5-6,8-10H,1-4H2
InChIKeyKFVUCOGQSOTLCV-UHFFFAOYSA-N
MW143.98 g/mol
LogP-1.07
Rot. Bonds5

About CID 123234471

CID 123234471 (PubChem CID 123234471) has the molecular formula C6H13BO3 and a molecular weight of 143.98 g/mol.

Molecular Properties

Compound NameCID 123234471
PubChem CID123234471
Molecular FormulaC6H13BO3
Molecular Weight143.98 g/mol
Exact Mass144.10
IUPAC Name—
SMILES[B]C(CO)CC(CO)CO
InChIInChI=1S/C6H13BO3/c7-6(4-10)1-5(2-8)3-9/h5-6,8-10H,1-4H2
InChIKeyKFVUCOGQSOTLCV-UHFFFAOYSA-N
XLogP-1.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.98
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 123281160
CID 123281160
boric acid;2-(hydroxymethyl)butane-1,4-diol
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2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
2-(3-fluoropropyl)propane-1,3-diol
CID 14985208
CID 175818048
CID 175818048
2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methyl]propane-1,3-diol
CID 122377868
2-(hydroxymethyl)butane-1,4-diol;trihydroxy(sulfanylidene)-λ5-phosphane
CID 87966428
sodium 4-hydroxy-3-(hydroxymethyl)butanoate
CID 87434725
actinium;2-ethylpropane-1,3-diol;yttrium
CID 59047614
CID 91370705
CID 91370705

Frequently Asked Questions

What is the IUPAC name of CID 123234471?
The IUPAC name of CID 123234471 (CID 123234471) is not available.
What is the SMILES notation for CID 123234471?
The canonical SMILES for CID 123234471 is [B]C(CO)CC(CO)CO.
What is the InChIKey of CID 123234471?
The InChIKey is KFVUCOGQSOTLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO3/c7-6(4-10)1-5(2-8)3-9/h5-6,8-10H,1-4H2.
What are the key properties of CID 123234471?
CID 123234471 has a molecular weight of 143.98 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123234471 is sourced from PubChem (CID 123234471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).