benzene;bismuthane;dihydrate

C18H25BiO2 — CID 175244784

IUPACbenzene;bismuthane;dihydrate
SMILESO.O.[BiH3].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.Bi.2H2O.3H/c3*1-2-4-6-5-3-1;;;;;;/h3*1-6H;;2*1H2;;;
InChIKeyBIGCWEOQVKVJNG-UHFFFAOYSA-N
MW482.38 g/mol
LogP2.23
Rot. Bonds

About benzene;bismuthane;dihydrate

benzene;bismuthane;dihydrate (PubChem CID 175244784) has the molecular formula C18H25BiO2 and a molecular weight of 482.38 g/mol. Its IUPAC name is benzene;bismuthane;dihydrate.

Molecular Properties

Compound Namebenzene;bismuthane;dihydrate
PubChem CID175244784
Molecular FormulaC18H25BiO2
Molecular Weight482.38 g/mol
Exact Mass482.17
IUPAC Namebenzene;bismuthane;dihydrate
SMILESO.O.[BiH3].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.Bi.2H2O.3H/c3*1-2-4-6-5-3-1;;;;;;/h3*1-6H;;2*1H2;;;
InChIKeyBIGCWEOQVKVJNG-UHFFFAOYSA-N
XLogP2.23
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;bismuthane;dihydrate?
The IUPAC name of benzene;bismuthane;dihydrate (CID 175244784) is benzene;bismuthane;dihydrate.
What is the SMILES notation for benzene;bismuthane;dihydrate?
The canonical SMILES for benzene;bismuthane;dihydrate is O.O.[BiH3].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bismuthane;dihydrate?
The InChIKey is BIGCWEOQVKVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.Bi.2H2O.3H/c3*1-2-4-6-5-3-1;;;;;;/h3*1-6H;;2*1H2;;;.
What are the key properties of benzene;bismuthane;dihydrate?
benzene;bismuthane;dihydrate has a molecular weight of 482.38 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bismuthane;dihydrate is sourced from PubChem (CID 175244784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).