[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate

C16H26BrGaO4 — CID 144651116

IUPAC[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate
SMILESO=C(O[Ga](Br)OC(=O)C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/2C8H14O2.BrH.Ga/c2*9-8(10)7-5-3-1-2-4-6-7;;/h2*7H,1-6H2,(H,9,10);1H;/q;;;+3/p-3
InChIKeyFHWFIYRVUSKEEH-UHFFFAOYSA-K
MW432.01 g/mol
LogP4.39
Rot. Bonds4

About [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate

[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate (PubChem CID 144651116) has the molecular formula C16H26BrGaO4 and a molecular weight of 432.01 g/mol. Its IUPAC name is [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate.

Molecular Properties

Compound Name[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate
PubChem CID144651116
Molecular FormulaC16H26BrGaO4
Molecular Weight432.01 g/mol
Exact Mass430.03
IUPAC Name[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate
SMILESO=C(O[Ga](Br)OC(=O)C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/2C8H14O2.BrH.Ga/c2*9-8(10)7-5-3-1-2-4-6-7;;/h2*7H,1-6H2,(H,9,10);1H;/q;;;+3/p-3
InChIKeyFHWFIYRVUSKEEH-UHFFFAOYSA-K
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclooctanecarboperoxoic acid
CID 90238548
(hydroxyamino) cyclohexanecarboxylate
CID 149013635
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
ethane;methyl cyclohexanecarboxylate
CID 90871014
1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate
CID 58321887
tert-butyl cyclododecanecarboxylate
CID 154013086
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
(cyclobutylamino)methyl cyclohexanecarboxylate
CID 151663957
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
prop-2-enyl cyclododecanecarboxylate
CID 139624721
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122

Frequently Asked Questions

What is the IUPAC name of [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate?
The IUPAC name of [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate (CID 144651116) is [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate.
What is the SMILES notation for [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate?
The canonical SMILES for [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate is O=C(O[Ga](Br)OC(=O)C1CCCCCC1)C1CCCCCC1.
What is the InChIKey of [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate?
The InChIKey is FHWFIYRVUSKEEH-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H14O2.BrH.Ga/c2*9-8(10)7-5-3-1-2-4-6-7;;/h2*7H,1-6H2,(H,9,10);1H;/q;;;+3/p-3.
What are the key properties of [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate?
[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate has a molecular weight of 432.01 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate is sourced from PubChem (CID 144651116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).