cyclopentyl(methoxy)borinic acid

C6H13BO2 — CID 58841823

IUPACcyclopentyl(methoxy)borinic acid
SMILESCOB(O)C1CCCC1
InChIInChI=1S/C6H13BO2/c1-9-7(8)6-4-2-3-5-6/h6,8H,2-5H2,1H3
InChIKeyQQDKGFOILNBSBJ-UHFFFAOYSA-N
MW127.98 g/mol
LogP1.06
Rot. Bonds2

About cyclopentyl(methoxy)borinic acid

cyclopentyl(methoxy)borinic acid (PubChem CID 58841823) has the molecular formula C6H13BO2 and a molecular weight of 127.98 g/mol. Its IUPAC name is cyclopentyl(methoxy)borinic acid.

Molecular Properties

Compound Namecyclopentyl(methoxy)borinic acid
PubChem CID58841823
Molecular FormulaC6H13BO2
Molecular Weight127.98 g/mol
Exact Mass128.10
IUPAC Namecyclopentyl(methoxy)borinic acid
SMILESCOB(O)C1CCCC1
InChIInChI=1S/C6H13BO2/c1-9-7(8)6-4-2-3-5-6/h6,8H,2-5H2,1H3
InChIKeyQQDKGFOILNBSBJ-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.98
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[bis(dicyclohexylboranyl)amino]-cyclohexylboranyl]cyclohexane
CID 175800188
but-1-en-2-yloxy(dicyclohexyl)borane
CID 15130255
carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
CID 162277794
cyclodecyloxyboronic acid
CID 57131416
azane;methoxycyclopentane
CID 70270429
methoxycyclooctane
CID 551195
methoxycyclopentane;dihydrate
CID 159895201
bromo(dicyclohexyl)borane
CID 11010610
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
boric acid;tris(N,N-dimethylcyclohexanamine)
CID 172846334
dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane
CID 11480571
dicyclohexyl-[(Z)-4-methylpent-2-en-2-yl]borane
CID 134903795

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(methoxy)borinic acid?
The IUPAC name of cyclopentyl(methoxy)borinic acid (CID 58841823) is cyclopentyl(methoxy)borinic acid.
What is the SMILES notation for cyclopentyl(methoxy)borinic acid?
The canonical SMILES for cyclopentyl(methoxy)borinic acid is COB(O)C1CCCC1.
What is the InChIKey of cyclopentyl(methoxy)borinic acid?
The InChIKey is QQDKGFOILNBSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO2/c1-9-7(8)6-4-2-3-5-6/h6,8H,2-5H2,1H3.
What are the key properties of cyclopentyl(methoxy)borinic acid?
cyclopentyl(methoxy)borinic acid has a molecular weight of 127.98 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(methoxy)borinic acid is sourced from PubChem (CID 58841823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).