cyclohexene;2,2-dimethylpropanal

C11H20O — CID 175507599

IUPACcyclohexene;2,2-dimethylpropanal
SMILESC1=CCCCC1.CC(C)(C)C=O
InChIInChI=1S/C6H10.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h1-2H,3-6H2;4H,1-3H3
InChIKeyQYHGPXDKCOFVDA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds

About cyclohexene;2,2-dimethylpropanal

cyclohexene;2,2-dimethylpropanal (PubChem CID 175507599) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is cyclohexene;2,2-dimethylpropanal.

Molecular Properties

Compound Namecyclohexene;2,2-dimethylpropanal
PubChem CID175507599
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecyclohexene;2,2-dimethylpropanal
SMILESC1=CCCCC1.CC(C)(C)C=O
InChIInChI=1S/C6H10.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h1-2H,3-6H2;4H,1-3H3
InChIKeyQYHGPXDKCOFVDA-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
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 cyclohexene;2,2-dimethylpropanal?
The IUPAC name of cyclohexene;2,2-dimethylpropanal (CID 175507599) is cyclohexene;2,2-dimethylpropanal.
What is the SMILES notation for cyclohexene;2,2-dimethylpropanal?
The canonical SMILES for cyclohexene;2,2-dimethylpropanal is C1=CCCCC1.CC(C)(C)C=O.
What is the InChIKey of cyclohexene;2,2-dimethylpropanal?
The InChIKey is QYHGPXDKCOFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H10O/c1-2-4-6-5-3-1;1-5(2,3)4-6/h1-2H,3-6H2;4H,1-3H3.
What are the key properties of cyclohexene;2,2-dimethylpropanal?
cyclohexene;2,2-dimethylpropanal has a molecular weight of 168.28 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;2,2-dimethylpropanal is sourced from PubChem (CID 175507599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).