acetaldehyde;prop-1-ene

C7H14O2 — CID 157049777

IUPACacetaldehyde;prop-1-ene
SMILESC=CC.CC=O.CC=O
InChIInChI=1S/C3H6.2C2H4O/c1-3-2;2*1-2-3/h3H,1H2,2H3;2*2H,1H3
InChIKeyAABFBHCOOYUHHH-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.60
Rot. Bonds

About acetaldehyde;prop-1-ene

acetaldehyde;prop-1-ene (PubChem CID 157049777) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is acetaldehyde;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;prop-1-ene
PubChem CID157049777
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameacetaldehyde;prop-1-ene
SMILESC=CC.CC=O.CC=O
InChIInChI=1S/C3H6.2C2H4O/c1-3-2;2*1-2-3/h3H,1H2,2H3;2*2H,1H3
InChIKeyAABFBHCOOYUHHH-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;carbon dioxide;prop-1-ene
CID 88717372
acetaldehyde;buta-1,3-diene
CID 157419668
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
ethene;tetrakis(prop-1-ene)
CID 158667737
acetaldehyde;stibane
CID 173001465

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;prop-1-ene?
The IUPAC name of acetaldehyde;prop-1-ene (CID 157049777) is acetaldehyde;prop-1-ene.
What is the SMILES notation for acetaldehyde;prop-1-ene?
The canonical SMILES for acetaldehyde;prop-1-ene is C=CC.CC=O.CC=O.
What is the InChIKey of acetaldehyde;prop-1-ene?
The InChIKey is AABFBHCOOYUHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.2C2H4O/c1-3-2;2*1-2-3/h3H,1H2,2H3;2*2H,1H3.
What are the key properties of acetaldehyde;prop-1-ene?
acetaldehyde;prop-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;prop-1-ene is sourced from PubChem (CID 157049777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).