carbon monoxide;ethanol

C3H6O2 — CID 173458228

IUPACcarbon monoxide;ethanol
SMILESCCO.[C-]#[O+]
InChIInChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;
InChIKeyKEOZKSCVXQEKDL-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.04
Rot. Bonds

About carbon monoxide;ethanol

carbon monoxide;ethanol (PubChem CID 173458228) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is carbon monoxide;ethanol.

Molecular Properties

Compound Namecarbon monoxide;ethanol
PubChem CID173458228
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Namecarbon monoxide;ethanol
SMILESCCO.[C-]#[O+]
InChIInChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;
InChIKeyKEOZKSCVXQEKDL-UHFFFAOYSA-N
XLogP-0.04
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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ethanol;heptahydrate
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ethanol iodide
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ethanol;methanol
CID 157119827
azane;ethanol
CID 173204929
ethanol;propane
CID 158736248
ethanol;ruthenium
CID 150841781
ethanol;phosphane
CID 159788730
ethanol;hydron
CID 174459614
ethanol;tin(2+)
CID 162004830

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ethanol?
The IUPAC name of carbon monoxide;ethanol (CID 173458228) is carbon monoxide;ethanol.
What is the SMILES notation for carbon monoxide;ethanol?
The canonical SMILES for carbon monoxide;ethanol is CCO.[C-]#[O+].
What is the InChIKey of carbon monoxide;ethanol?
The InChIKey is KEOZKSCVXQEKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;.
What are the key properties of carbon monoxide;ethanol?
carbon monoxide;ethanol has a molecular weight of 74.08 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ethanol is sourced from PubChem (CID 173458228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).