ethynylbenzene;stibane

C8H9Sb — CID 175292724

IUPACethynylbenzene;stibane
SMILESC#Cc1ccccc1.[SbH3]
InChIInChI=1S/C8H6.Sb.3H/c1-2-8-6-4-3-5-7-8;;;;/h1,3-7H;;;;
InChIKeyYEXQMZSWYDXRRG-UHFFFAOYSA-N
MW226.92 g/mol
LogP0.48
Rot. Bonds

About ethynylbenzene;stibane

ethynylbenzene;stibane (PubChem CID 175292724) has the molecular formula C8H9Sb and a molecular weight of 226.92 g/mol. Its IUPAC name is ethynylbenzene;stibane.

Molecular Properties

Compound Nameethynylbenzene;stibane
PubChem CID175292724
Molecular FormulaC8H9Sb
Molecular Weight226.92 g/mol
Exact Mass225.97
IUPAC Nameethynylbenzene;stibane
SMILESC#Cc1ccccc1.[SbH3]
InChIInChI=1S/C8H6.Sb.3H/c1-2-8-6-4-3-5-7-8;;;;/h1,3-7H;;;;
InChIKeyYEXQMZSWYDXRRG-UHFFFAOYSA-N
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.92
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,2-13C2)ethynylbenzene
CID 71309164
ethynylbenzene fluoride
CID 139243604
cobalt;ethynylbenzene
CID 174831642
ethynylbenzene;molecular nitrogen
CID 174932310
ethynylbenzene;platinum;bis(triphenylphosphanium)
CID 171040973
acetaldehyde;ethynylbenzene
CID 159057248
ethynylbenzene;nitromethane
CID 161408391
ethynylbenzene;propanal
CID 157087629
1-ethynyl-4-(2-phenylethenyl)benzene
CID 71360336
(4-ethynylphenyl)-phenyldiazene
CID 54055735
CID 143970071
CID 143970071
ethynylbenzene;4-methylbenzoic acid
CID 174779581

Frequently Asked Questions

What is the IUPAC name of ethynylbenzene;stibane?
The IUPAC name of ethynylbenzene;stibane (CID 175292724) is ethynylbenzene;stibane.
What is the SMILES notation for ethynylbenzene;stibane?
The canonical SMILES for ethynylbenzene;stibane is C#Cc1ccccc1.[SbH3].
What is the InChIKey of ethynylbenzene;stibane?
The InChIKey is YEXQMZSWYDXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.Sb.3H/c1-2-8-6-4-3-5-7-8;;;;/h1,3-7H;;;;.
What are the key properties of ethynylbenzene;stibane?
ethynylbenzene;stibane has a molecular weight of 226.92 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynylbenzene;stibane is sourced from PubChem (CID 175292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).