CID 167679023

C5H10B2O — CID 167679023

IUPAC—
SMILESOC1CCCC1.[B][B]
InChIInChI=1S/C5H10O.B2/c6-5-3-1-2-4-5;1-2/h5-6H,1-4H2;
InChIKeySBKWBDSJPIMGKP-UHFFFAOYSA-N
MW107.76 g/mol
LogP0.16
Rot. Bonds

About CID 167679023

CID 167679023 (PubChem CID 167679023) has the molecular formula C5H10B2O and a molecular weight of 107.76 g/mol.

Molecular Properties

Compound NameCID 167679023
PubChem CID167679023
Molecular FormulaC5H10B2O
Molecular Weight107.76 g/mol
Exact Mass108.09
IUPAC Name—
SMILESOC1CCCC1.[B][B]
InChIInChI=1S/C5H10O.B2/c6-5-3-1-2-4-5;1-2/h5-6H,1-4H2;
InChIKeySBKWBDSJPIMGKP-UHFFFAOYSA-N
XLogP0.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.76
LogP ≤ 50.16
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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CID 157040931
cyclohexanol;methanol
CID 18353815
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bis(carbon dioxide);bis(cyclohexanol)
CID 159091312
cyclopentanol;2-methylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 167679023?
The IUPAC name of CID 167679023 (CID 167679023) is not available.
What is the SMILES notation for CID 167679023?
The canonical SMILES for CID 167679023 is OC1CCCC1.[B][B].
What is the InChIKey of CID 167679023?
The InChIKey is SBKWBDSJPIMGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.B2/c6-5-3-1-2-4-5;1-2/h5-6H,1-4H2;.
What are the key properties of CID 167679023?
CID 167679023 has a molecular weight of 107.76 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167679023 is sourced from PubChem (CID 167679023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).