dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate

C13H16Bi2O10 — CID 158108968

IUPACdibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
SMILESCC12CCC(CC1=O)C2(C)C.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/C10H16O.3CH2O3.2Bi/c1-9(2)7-4-5-10(9,3)8(11)6-7;3*2-1(3)4;;/h7H,4-6H2,1-3H3;3*(H2,2,3,4);;/q;;;;2*+3/p-6
InChIKeyFQEKVYMVNHUWBU-UHFFFAOYSA-H
MW750.22 g/mol
LogP-5.70
Rot. Bonds

About dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate

dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate (PubChem CID 158108968) has the molecular formula C13H16Bi2O10 and a molecular weight of 750.22 g/mol. Its IUPAC name is dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate.

Molecular Properties

Compound Namedibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
PubChem CID158108968
Molecular FormulaC13H16Bi2O10
Molecular Weight750.22 g/mol
Exact Mass750.04
IUPAC Namedibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
SMILESCC12CCC(CC1=O)C2(C)C.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/C10H16O.3CH2O3.2Bi/c1-9(2)7-4-5-10(9,3)8(11)6-7;3*2-1(3)4;;/h7H,4-6H2,1-3H3;3*(H2,2,3,4);;/q;;;;2*+3/p-6
InChIKeyFQEKVYMVNHUWBU-UHFFFAOYSA-H
XLogP-5.70
TPSA206.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.22
LogP ≤ 5-5.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
terephthalic acid;bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
CID 158933619
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
azanium;methyl sulfate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 160904354
phenol;selane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 172999582
2-hydroxyethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162112079
(1S,4R,7R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 98550073
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827

Frequently Asked Questions

What is the IUPAC name of dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate?
The IUPAC name of dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate (CID 158108968) is dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate.
What is the SMILES notation for dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate?
The canonical SMILES for dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate is CC12CCC(CC1=O)C2(C)C.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate?
The InChIKey is FQEKVYMVNHUWBU-UHFFFAOYSA-H. The full InChI is InChI=1S/C10H16O.3CH2O3.2Bi/c1-9(2)7-4-5-10(9,3)8(11)6-7;3*2-1(3)4;;/h7H,4-6H2,1-3H3;3*(H2,2,3,4);;/q;;;;2*+3/p-6.
What are the key properties of dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate?
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate has a molecular weight of 750.22 g/mol, XLogP of -5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate is sourced from PubChem (CID 158108968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).