acetaldehyde;cyclohexene

C8H14O — CID 87322239

IUPACacetaldehyde;cyclohexene
SMILESC1=CCCCC1.CC=O
InChIInChI=1S/C6H10.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-2H,3-6H2;2H,1H3
InChIKeyJNMUTPQJXLIBFB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds

About acetaldehyde;cyclohexene

acetaldehyde;cyclohexene (PubChem CID 87322239) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is acetaldehyde;cyclohexene.

Molecular Properties

Compound Nameacetaldehyde;cyclohexene
PubChem CID87322239
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameacetaldehyde;cyclohexene
SMILESC1=CCCCC1.CC=O
InChIInChI=1S/C6H10.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-2H,3-6H2;2H,1H3
InChIKeyJNMUTPQJXLIBFB-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cyclohexene?
The IUPAC name of acetaldehyde;cyclohexene (CID 87322239) is acetaldehyde;cyclohexene.
What is the SMILES notation for acetaldehyde;cyclohexene?
The canonical SMILES for acetaldehyde;cyclohexene is C1=CCCCC1.CC=O.
What is the InChIKey of acetaldehyde;cyclohexene?
The InChIKey is JNMUTPQJXLIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-2H,3-6H2;2H,1H3.
What are the key properties of acetaldehyde;cyclohexene?
acetaldehyde;cyclohexene has a molecular weight of 126.20 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cyclohexene is sourced from PubChem (CID 87322239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).