acetaldehyde;methane;propan-2-one

C7H18O2 — CID 159068439

IUPACacetaldehyde;methane;propan-2-one
SMILESC.C.CC(C)=O.CC=O
InChIInChI=1S/C3H6O.C2H4O.2CH4/c1-3(2)4;1-2-3;;/h1-2H3;2H,1H3;2*1H4
InChIKeyJZIOFXLYRWEIOE-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.07
Rot. Bonds

About acetaldehyde;methane;propan-2-one

acetaldehyde;methane;propan-2-one (PubChem CID 159068439) has the molecular formula C7H18O2 and a molecular weight of 134.22 g/mol. Its IUPAC name is acetaldehyde;methane;propan-2-one.

Molecular Properties

Compound Nameacetaldehyde;methane;propan-2-one
PubChem CID159068439
Molecular FormulaC7H18O2
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Nameacetaldehyde;methane;propan-2-one
SMILESC.C.CC(C)=O.CC=O
InChIInChI=1S/C3H6O.C2H4O.2CH4/c1-3(2)4;1-2-3;;/h1-2H3;2H,1H3;2*1H4
InChIKeyJZIOFXLYRWEIOE-UHFFFAOYSA-N
XLogP2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methane;propan-2-one?
The IUPAC name of acetaldehyde;methane;propan-2-one (CID 159068439) is acetaldehyde;methane;propan-2-one.
What is the SMILES notation for acetaldehyde;methane;propan-2-one?
The canonical SMILES for acetaldehyde;methane;propan-2-one is C.C.CC(C)=O.CC=O.
What is the InChIKey of acetaldehyde;methane;propan-2-one?
The InChIKey is JZIOFXLYRWEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O.2CH4/c1-3(2)4;1-2-3;;/h1-2H3;2H,1H3;2*1H4.
What are the key properties of acetaldehyde;methane;propan-2-one?
acetaldehyde;methane;propan-2-one has a molecular weight of 134.22 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methane;propan-2-one is sourced from PubChem (CID 159068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).