4-tert-butylbismine

C9H13Bi — CID 13031304

IUPAC4-tert-butylbismine
SMILESCC(C)(C)C1=CC=[Bi]C=C1
InChIInChI=1S/C9H13.Bi/c1-6-8(7-2)9(3,4)5;/h1-2,6-7H,3-5H3;/b6-1?,8-7+;
InChIKeySKSORUGWBRHIKB-PBRZVHOQSA-N
MW330.18 g/mol
LogP1.99
Rot. Bonds

About 4-tert-butylbismine

4-tert-butylbismine (PubChem CID 13031304) has the molecular formula C9H13Bi and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-tert-butylbismine.

Molecular Properties

Compound Name4-tert-butylbismine
PubChem CID13031304
Molecular FormulaC9H13Bi
Molecular Weight330.18 g/mol
Exact Mass330.08
IUPAC Name4-tert-butylbismine
SMILESCC(C)(C)C1=CC=[Bi]C=C1
InChIInChI=1S/C9H13.Bi/c1-6-8(7-2)9(3,4)5;/h1-2,6-7H,3-5H3;/b6-1?,8-7+;
InChIKeySKSORUGWBRHIKB-PBRZVHOQSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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beta-Pyronene
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Cyclohexene, 3,3-dimethyl-6-methylene-
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Npc86941
CID 572142
Tert-butylcyclopentadiene
CID 633714
4-tert-Butylphenylmagnesium bromide solution
CID 4608371
1,5,5-Trimethylcyclopentadiene
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5-Methyl-5-prop-1-enylcyclohexa-1,3-diene
CID 86041546
5,5-Dimethyl-1,3-cyclohexadiene
CID 10877069
2-Ethyl-1,3-cyclohexadiene
CID 14226017
1,3-Pentadiene, 2,4-di-t-butyl-
CID 5370147

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbismine?
The IUPAC name of 4-tert-butylbismine (CID 13031304) is 4-tert-butylbismine.
What is the SMILES notation for 4-tert-butylbismine?
The canonical SMILES for 4-tert-butylbismine is CC(C)(C)C1=CC=[Bi]C=C1.
What is the InChIKey of 4-tert-butylbismine?
The InChIKey is SKSORUGWBRHIKB-PBRZVHOQSA-N. The full InChI is InChI=1S/C9H13.Bi/c1-6-8(7-2)9(3,4)5;/h1-2,6-7H,3-5H3;/b6-1?,8-7+;.
What are the key properties of 4-tert-butylbismine?
4-tert-butylbismine has a molecular weight of 330.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbismine is sourced from PubChem (CID 13031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).