acetaldehyde;carbon dioxide;prop-1-ene

C6H10O3 — CID 88717372

IUPACacetaldehyde;carbon dioxide;prop-1-ene
SMILESC=CC.CC=O.O=C=O
InChIInChI=1S/C3H6.C2H4O.CO2/c1-3-2;1-2-3;2-1-3/h3H,1H2,2H3;2H,1H3;
InChIKeyGAVBBWLRICGTGX-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.81
Rot. Bonds

About acetaldehyde;carbon dioxide;prop-1-ene

acetaldehyde;carbon dioxide;prop-1-ene (PubChem CID 88717372) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is acetaldehyde;carbon dioxide;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;carbon dioxide;prop-1-ene
PubChem CID88717372
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameacetaldehyde;carbon dioxide;prop-1-ene
SMILESC=CC.CC=O.O=C=O
InChIInChI=1S/C3H6.C2H4O.CO2/c1-3-2;1-2-3;2-1-3/h3H,1H2,2H3;2H,1H3;
InChIKeyGAVBBWLRICGTGX-UHFFFAOYSA-N
XLogP0.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;prop-1-ene
CID 157049777
acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
CID 161327837
acetaldehyde;buta-1,3-diene
CID 157419668
acetaldehyde;carbon dioxide;formic acid;methane
CID 162220737
acetaldehyde;formaldehyde
CID 162213164
prop-1-ene
CID 162178440
acetaldehyde
CID 158130567
oxovanadium;prop-1-ene
CID 174910979
oxophosphane;prop-1-ene
CID 21452107
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 173323353

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;carbon dioxide;prop-1-ene?
The IUPAC name of acetaldehyde;carbon dioxide;prop-1-ene (CID 88717372) is acetaldehyde;carbon dioxide;prop-1-ene.
What is the SMILES notation for acetaldehyde;carbon dioxide;prop-1-ene?
The canonical SMILES for acetaldehyde;carbon dioxide;prop-1-ene is C=CC.CC=O.O=C=O.
What is the InChIKey of acetaldehyde;carbon dioxide;prop-1-ene?
The InChIKey is GAVBBWLRICGTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H4O.CO2/c1-3-2;1-2-3;2-1-3/h3H,1H2,2H3;2H,1H3;.
What are the key properties of acetaldehyde;carbon dioxide;prop-1-ene?
acetaldehyde;carbon dioxide;prop-1-ene has a molecular weight of 130.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;carbon dioxide;prop-1-ene is sourced from PubChem (CID 88717372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).