cyclohexene;2-methylprop-2-enal

C10H16O — CID 88803790

IUPACcyclohexene;2-methylprop-2-enal
SMILESC1=CCCCC1.C=C(C)C=O
InChIInChI=1S/C6H10.C4H6O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-2H,3-6H2;3H,1H2,2H3
InChIKeyIZTIFZKWECGODV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds1

About cyclohexene;2-methylprop-2-enal

cyclohexene;2-methylprop-2-enal (PubChem CID 88803790) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is cyclohexene;2-methylprop-2-enal.

Molecular Properties

Compound Namecyclohexene;2-methylprop-2-enal
PubChem CID88803790
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namecyclohexene;2-methylprop-2-enal
SMILESC1=CCCCC1.C=C(C)C=O
InChIInChI=1S/C6H10.C4H6O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-2H,3-6H2;3H,1H2,2H3
InChIKeyIZTIFZKWECGODV-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;2-methylprop-2-enal?
The IUPAC name of cyclohexene;2-methylprop-2-enal (CID 88803790) is cyclohexene;2-methylprop-2-enal.
What is the SMILES notation for cyclohexene;2-methylprop-2-enal?
The canonical SMILES for cyclohexene;2-methylprop-2-enal is C1=CCCCC1.C=C(C)C=O.
What is the InChIKey of cyclohexene;2-methylprop-2-enal?
The InChIKey is IZTIFZKWECGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C4H6O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-2H,3-6H2;3H,1H2,2H3.
What are the key properties of cyclohexene;2-methylprop-2-enal?
cyclohexene;2-methylprop-2-enal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;2-methylprop-2-enal is sourced from PubChem (CID 88803790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).