bismuthane;propyl pentanoate

C8H19BiO2 — CID 174550006

IUPACbismuthane;propyl pentanoate
SMILESCCCCC(=O)OCCC.[BiH3]
InChIInChI=1S/C8H16O2.Bi.3H/c1-3-5-6-8(9)10-7-4-2;;;;/h3-7H2,1-2H3;;;;
InChIKeyDXFSUUFYYAYZSU-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.95
Rot. Bonds5

About bismuthane;propyl pentanoate

bismuthane;propyl pentanoate (PubChem CID 174550006) has the molecular formula C8H19BiO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is bismuthane;propyl pentanoate.

Molecular Properties

Compound Namebismuthane;propyl pentanoate
PubChem CID174550006
Molecular FormulaC8H19BiO2
Molecular Weight356.22 g/mol
Exact Mass356.12
IUPAC Namebismuthane;propyl pentanoate
SMILESCCCCC(=O)OCCC.[BiH3]
InChIInChI=1S/C8H16O2.Bi.3H/c1-3-5-6-8(9)10-7-4-2;;;;/h3-7H2,1-2H3;;;;
InChIKeyDXFSUUFYYAYZSU-UHFFFAOYSA-N
XLogP0.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl docosanoate
CID 3015299
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
nonyl pentanoate
CID 568602
ethane-1,2-diol;propyl octadecanoate
CID 87479973
propyl decanoate;undecanoic acid
CID 174913936
dibutyl heptadecanedioate
CID 87117348
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
pentyl hexanoate
CID 10886
2-henicosanoyloxyethyl henicosanoate
CID 54483902
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854

Frequently Asked Questions

What is the IUPAC name of bismuthane;propyl pentanoate?
The IUPAC name of bismuthane;propyl pentanoate (CID 174550006) is bismuthane;propyl pentanoate.
What is the SMILES notation for bismuthane;propyl pentanoate?
The canonical SMILES for bismuthane;propyl pentanoate is CCCCC(=O)OCCC.[BiH3].
What is the InChIKey of bismuthane;propyl pentanoate?
The InChIKey is DXFSUUFYYAYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Bi.3H/c1-3-5-6-8(9)10-7-4-2;;;;/h3-7H2,1-2H3;;;;.
What are the key properties of bismuthane;propyl pentanoate?
bismuthane;propyl pentanoate has a molecular weight of 356.22 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;propyl pentanoate is sourced from PubChem (CID 174550006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).