acetaldehyde;ethane;methane

C8H24O — CID 159605506

IUPACacetaldehyde;ethane;methane
SMILESC.C.CC.CC.CC=O
InChIInChI=1S/C2H4O.2C2H6.2CH4/c1-2-3;2*1-2;;/h2H,1H3;2*1-2H3;2*1H4
InChIKeyMMALPXCETKRZHL-UHFFFAOYSA-N
MW136.28 g/mol
LogP3.53
Rot. Bonds

About acetaldehyde;ethane;methane

acetaldehyde;ethane;methane (PubChem CID 159605506) has the molecular formula C8H24O and a molecular weight of 136.28 g/mol. Its IUPAC name is acetaldehyde;ethane;methane.

Molecular Properties

Compound Nameacetaldehyde;ethane;methane
PubChem CID159605506
Molecular FormulaC8H24O
Molecular Weight136.28 g/mol
Exact Mass136.18
IUPAC Nameacetaldehyde;ethane;methane
SMILESC.C.CC.CC.CC=O
InChIInChI=1S/C2H4O.2C2H6.2CH4/c1-2-3;2*1-2;;/h2H,1H3;2*1-2H3;2*1H4
InChIKeyMMALPXCETKRZHL-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;ethane;methane?
The IUPAC name of acetaldehyde;ethane;methane (CID 159605506) is acetaldehyde;ethane;methane.
What is the SMILES notation for acetaldehyde;ethane;methane?
The canonical SMILES for acetaldehyde;ethane;methane is C.C.CC.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;methane?
The InChIKey is MMALPXCETKRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.2C2H6.2CH4/c1-2-3;2*1-2;;/h2H,1H3;2*1-2H3;2*1H4.
What are the key properties of acetaldehyde;ethane;methane?
acetaldehyde;ethane;methane has a molecular weight of 136.28 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;methane is sourced from PubChem (CID 159605506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).