CID 20732791

C6H11BO3 — CID 20732791

IUPAC—
SMILES[B]C1OC(CO)C(O)C1C
InChIInChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3
InChIKeyNVIWXPBPUGGQMD-UHFFFAOYSA-N
MW141.96 g/mol
LogP-1.13
Rot. Bonds1

About CID 20732791

CID 20732791 (PubChem CID 20732791) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 20732791
PubChem CID20732791
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B]C1OC(CO)C(O)C1C
InChIInChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3
InChIKeyNVIWXPBPUGGQMD-UHFFFAOYSA-N
XLogP-1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(Hydroxymethyl)oxolan-2-yl]methanol
CID 263157
5,5-Dimethyloxolan-3-ol
CID 34744
3-Furanol, tetrahydro-2,5,5-trimethyl-
CID 34714
(2-Methyloxolan-2-yl)methanol
CID 12931501
(4-Methyloxolan-2-yl)methanol
CID 14379827
(4,4-Dimethyloxolan-2-yl)methanol
CID 85659205
rac-((2R,3S)-3-methyloxolan-2-yl)methanol
CID 137952016
2,2-Dimethyloxolan-3-ol
CID 13327310
Tetrahydrofuran-dimethanol
CID 20449541
CID 59804673
CID 59804673
CID 59914550
CID 59914550
CID 89046672
CID 89046672

Frequently Asked Questions

What is the IUPAC name of CID 20732791?
The IUPAC name of CID 20732791 (CID 20732791) is not available.
What is the SMILES notation for CID 20732791?
The canonical SMILES for CID 20732791 is [B]C1OC(CO)C(O)C1C.
What is the InChIKey of CID 20732791?
The InChIKey is NVIWXPBPUGGQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO3/c1-3-5(9)4(2-8)10-6(3)7/h3-6,8-9H,2H2,1H3.
What are the key properties of CID 20732791?
CID 20732791 has a molecular weight of 141.96 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20732791 is sourced from PubChem (CID 20732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).