ethynylbenzene;gold(1+);phosphane

C8H8AuP — CID 87270292

IUPACethynylbenzene;gold(1+);phosphane
SMILESP.[Au+].[C-]#Cc1ccccc1
InChIInChI=1S/C8H5.Au.H3P/c1-2-8-6-4-3-5-7-8;;/h3-7H;;1H3/q-1;+1;
InChIKeyHVHGDTMFQCIMTQ-UHFFFAOYSA-N
MW332.09 g/mol
LogP1.68
Rot. Bonds

About ethynylbenzene;gold(1+);phosphane

ethynylbenzene;gold(1+);phosphane (PubChem CID 87270292) has the molecular formula C8H8AuP and a molecular weight of 332.09 g/mol. Its IUPAC name is ethynylbenzene;gold(1+);phosphane.

Molecular Properties

Compound Nameethynylbenzene;gold(1+);phosphane
PubChem CID87270292
Molecular FormulaC8H8AuP
Molecular Weight332.09 g/mol
Exact Mass332.00
IUPAC Nameethynylbenzene;gold(1+);phosphane
SMILESP.[Au+].[C-]#Cc1ccccc1
InChIInChI=1S/C8H5.Au.H3P/c1-2-8-6-4-3-5-7-8;;/h3-7H;;1H3/q-1;+1;
InChIKeyHVHGDTMFQCIMTQ-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethynylbenzene;gold(1+);phosphane?
The IUPAC name of ethynylbenzene;gold(1+);phosphane (CID 87270292) is ethynylbenzene;gold(1+);phosphane.
What is the SMILES notation for ethynylbenzene;gold(1+);phosphane?
The canonical SMILES for ethynylbenzene;gold(1+);phosphane is P.[Au+].[C-]#Cc1ccccc1.
What is the InChIKey of ethynylbenzene;gold(1+);phosphane?
The InChIKey is HVHGDTMFQCIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5.Au.H3P/c1-2-8-6-4-3-5-7-8;;/h3-7H;;1H3/q-1;+1;.
What are the key properties of ethynylbenzene;gold(1+);phosphane?
ethynylbenzene;gold(1+);phosphane has a molecular weight of 332.09 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynylbenzene;gold(1+);phosphane is sourced from PubChem (CID 87270292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).