CID 58681778

C8H15BO2 — CID 58681778

IUPAC—
SMILES[B][C@@H]1C[C@H](CO)[C@H](CO)C1C
InChIInChI=1S/C8H15BO2/c1-5-7(4-11)6(3-10)2-8(5)9/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1
InChIKeyVTQJOPZLCAUGFJ-UIYHXYAWSA-N
MW154.02 g/mol
LogP0.20
Rot. Bonds2

About CID 58681778

CID 58681778 (PubChem CID 58681778) has the molecular formula C8H15BO2 and a molecular weight of 154.02 g/mol.

Molecular Properties

Compound NameCID 58681778
PubChem CID58681778
Molecular FormulaC8H15BO2
Molecular Weight154.02 g/mol
Exact Mass154.12
IUPAC Name—
SMILES[B][C@@H]1C[C@H](CO)[C@H](CO)C1C
InChIInChI=1S/C8H15BO2/c1-5-7(4-11)6(3-10)2-8(5)9/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1
InChIKeyVTQJOPZLCAUGFJ-UIYHXYAWSA-N
XLogP0.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 50.20
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

((1R,2S)-2-(hydroxymethyl)cyclopentyl)methanol
CID 10197707
rac-((1R,2R)-2-(hydroxymethyl)cyclopentyl)methanol
CID 14320850
[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol
CID 130179287
[2-(Hydroxymethyl)cyclopentyl]methanol
CID 333897
cis,cis,cis,cis,cis-1,2,3,4,5-Pentakis-(hydroxymethyl)cyclopentane
CID 13383981
CID 134854537
CID 134854537
CID 134970990
CID 134970990
rel-(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetramethanol
CID 12246928
[(1S,2R,3S)-2-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 21604750
[(1S,2R,3R)-2-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 21604751
(1R,2R)-1,2-Cyclopentanedimethanol
CID 11286477
1,2,3,4-Cyclopentanetetramethanol
CID 12246930

Frequently Asked Questions

What is the IUPAC name of CID 58681778?
The IUPAC name of CID 58681778 (CID 58681778) is not available.
What is the SMILES notation for CID 58681778?
The canonical SMILES for CID 58681778 is [B][C@@H]1C[C@H](CO)[C@H](CO)C1C.
What is the InChIKey of CID 58681778?
The InChIKey is VTQJOPZLCAUGFJ-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H15BO2/c1-5-7(4-11)6(3-10)2-8(5)9/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of CID 58681778?
CID 58681778 has a molecular weight of 154.02 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58681778 is sourced from PubChem (CID 58681778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).