bismuthane;dodecanedioic acid

C12H25BiO4 — CID 173224414

IUPACbismuthane;dodecanedioic acid
SMILESO=C(O)CCCCCCCCCCC(=O)O.[BiH3]
InChIInChI=1S/C12H22O4.Bi.3H/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;;;/h1-10H2,(H,13,14)(H,15,16);;;;
InChIKeyMOCDSAGCBCNTSG-UHFFFAOYSA-N
MW442.31 g/mol
LogP1.87
Rot. Bonds11

About bismuthane;dodecanedioic acid

bismuthane;dodecanedioic acid (PubChem CID 173224414) has the molecular formula C12H25BiO4 and a molecular weight of 442.31 g/mol. Its IUPAC name is bismuthane;dodecanedioic acid.

Molecular Properties

Compound Namebismuthane;dodecanedioic acid
PubChem CID173224414
Molecular FormulaC12H25BiO4
Molecular Weight442.31 g/mol
Exact Mass442.16
IUPAC Namebismuthane;dodecanedioic acid
SMILESO=C(O)CCCCCCCCCCC(=O)O.[BiH3]
InChIInChI=1S/C12H22O4.Bi.3H/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;;;/h1-10H2,(H,13,14)(H,15,16);;;;
InChIKeyMOCDSAGCBCNTSG-UHFFFAOYSA-N
XLogP1.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of bismuthane;dodecanedioic acid?
The IUPAC name of bismuthane;dodecanedioic acid (CID 173224414) is bismuthane;dodecanedioic acid.
What is the SMILES notation for bismuthane;dodecanedioic acid?
The canonical SMILES for bismuthane;dodecanedioic acid is O=C(O)CCCCCCCCCCC(=O)O.[BiH3].
What is the InChIKey of bismuthane;dodecanedioic acid?
The InChIKey is MOCDSAGCBCNTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.Bi.3H/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;;;/h1-10H2,(H,13,14)(H,15,16);;;;.
What are the key properties of bismuthane;dodecanedioic acid?
bismuthane;dodecanedioic acid has a molecular weight of 442.31 g/mol, XLogP of 1.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;dodecanedioic acid is sourced from PubChem (CID 173224414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).