oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid

C10H19BO4Zn — CID 175508535

IUPACoxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](OB(O)O)C2.O=[Zn]
InChIInChI=1S/C10H19BO3.O.Zn/c1-9(2)7-4-5-10(9,3)8(6-7)14-11(12)13;;/h7-8,12-13H,4-6H2,1-3H3;;/t7-,8+,10-;;/m1../s1
InChIKeyLZGKGXBMHQQTRI-JKLXKZJQSA-N
MW279.46 g/mol
LogP1.07
Rot. Bonds2

About oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid

oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid (PubChem CID 175508535) has the molecular formula C10H19BO4Zn and a molecular weight of 279.46 g/mol. Its IUPAC name is oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid.

Molecular Properties

Compound Nameoxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid
PubChem CID175508535
Molecular FormulaC10H19BO4Zn
Molecular Weight279.46 g/mol
Exact Mass278.07
IUPAC Nameoxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](OB(O)O)C2.O=[Zn]
InChIInChI=1S/C10H19BO3.O.Zn/c1-9(2)7-4-5-10(9,3)8(6-7)14-11(12)13;;/h7-8,12-13H,4-6H2,1-3H3;;/t7-,8+,10-;;/m1../s1
InChIKeyLZGKGXBMHQQTRI-JKLXKZJQSA-N
XLogP1.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid with MolForge

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Related Compounds

[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid
CID 175508536
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
CID 140960699
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 904858
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
CID 13428328
acetic acid;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 118982093
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]carbamate
CID 10453143

Frequently Asked Questions

What is the IUPAC name of oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid?
The IUPAC name of oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid (CID 175508535) is oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid.
What is the SMILES notation for oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid?
The canonical SMILES for oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid is CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OB(O)O)C2.O=[Zn].
What is the InChIKey of oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid?
The InChIKey is LZGKGXBMHQQTRI-JKLXKZJQSA-N. The full InChI is InChI=1S/C10H19BO3.O.Zn/c1-9(2)7-4-5-10(9,3)8(6-7)14-11(12)13;;/h7-8,12-13H,4-6H2,1-3H3;;/t7-,8+,10-;;/m1../s1.
What are the key properties of oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid?
oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid has a molecular weight of 279.46 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxozinc;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid is sourced from PubChem (CID 175508535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).