carbon monoxide;ethylbenzene

C9H10O — CID 158511344

IUPACcarbon monoxide;ethylbenzene
SMILESCCc1ccccc1.[C-]#[O+]
InChIInChI=1S/C8H10.CO/c1-2-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;
InChIKeyHLCCNBUZDTWURA-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.21
Rot. Bonds1

About carbon monoxide;ethylbenzene

carbon monoxide;ethylbenzene (PubChem CID 158511344) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is carbon monoxide;ethylbenzene.

Molecular Properties

Compound Namecarbon monoxide;ethylbenzene
PubChem CID158511344
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Namecarbon monoxide;ethylbenzene
SMILESCCc1ccccc1.[C-]#[O+]
InChIInChI=1S/C8H10.CO/c1-2-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;
InChIKeyHLCCNBUZDTWURA-UHFFFAOYSA-N
XLogP2.21
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;chromium;ethylbenzene
CID 11032050
ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
ethane;ethylbenzene;methanol
CID 90833594
ethylazanium;ethylbenzene
CID 163634184
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
acetylene;ethylbenzene;propane
CID 143490350
ethylbenzene;N-methylmethanamine
CID 19063869

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ethylbenzene?
The IUPAC name of carbon monoxide;ethylbenzene (CID 158511344) is carbon monoxide;ethylbenzene.
What is the SMILES notation for carbon monoxide;ethylbenzene?
The canonical SMILES for carbon monoxide;ethylbenzene is CCc1ccccc1.[C-]#[O+].
What is the InChIKey of carbon monoxide;ethylbenzene?
The InChIKey is HLCCNBUZDTWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CO/c1-2-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;.
What are the key properties of carbon monoxide;ethylbenzene?
carbon monoxide;ethylbenzene has a molecular weight of 134.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ethylbenzene is sourced from PubChem (CID 158511344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).