tri(butan-2-yloxy)bismuthane

C12H27BiO3 — CID 139902466

IUPACtri(butan-2-yloxy)bismuthane
SMILESCCC(C)O[Bi](OC(C)CC)OC(C)CC
InChIInChI=1S/3C4H9O.Bi/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyVSBNBKOXBQTTBT-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.42
Rot. Bonds9

About tri(butan-2-yloxy)bismuthane

tri(butan-2-yloxy)bismuthane (PubChem CID 139902466) has the molecular formula C12H27BiO3 and a molecular weight of 428.33 g/mol. Its IUPAC name is tri(butan-2-yloxy)bismuthane.

Molecular Properties

Compound Nametri(butan-2-yloxy)bismuthane
PubChem CID139902466
Molecular FormulaC12H27BiO3
Molecular Weight428.33 g/mol
Exact Mass428.18
IUPAC Nametri(butan-2-yloxy)bismuthane
SMILESCCC(C)O[Bi](OC(C)CC)OC(C)CC
InChIInChI=1S/3C4H9O.Bi/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyVSBNBKOXBQTTBT-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(1-sulfanylpropan-2-yloxy)bismuthanyloxy]propane-1-thiol
CID 141273924
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
tri(butan-2-yloxy)alumane;hydrate
CID 141014531
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
CID 91437014
CID 91437014
butan-2-yloxyalumane
CID 173404497
methane;2-methoxybutane
CID 162124465
CID 173228118
CID 173228118
1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
CID 54035623
2-butan-2-yloxybutane;ethanol
CID 88614162
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410

Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yloxy)bismuthane?
The IUPAC name of tri(butan-2-yloxy)bismuthane (CID 139902466) is tri(butan-2-yloxy)bismuthane.
What is the SMILES notation for tri(butan-2-yloxy)bismuthane?
The canonical SMILES for tri(butan-2-yloxy)bismuthane is CCC(C)O[Bi](OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)bismuthane?
The InChIKey is VSBNBKOXBQTTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Bi/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of tri(butan-2-yloxy)bismuthane?
tri(butan-2-yloxy)bismuthane has a molecular weight of 428.33 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)bismuthane is sourced from PubChem (CID 139902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).