2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde

C11H18O — CID 10888286

IUPAC2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde
SMILESC=C1CCCC(C)(C)C1CC=O
InChIInChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8,10H,1,4-7H2,2-3H3
InChIKeyWJGGZGYLEUUXHR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde

2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde (PubChem CID 10888286) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde
PubChem CID10888286
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde
SMILESC=C1CCCC(C)(C)C1CC=O
InChIInChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8,10H,1,4-7H2,2-3H3
InChIKeyWJGGZGYLEUUXHR-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
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 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde?
The IUPAC name of 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde (CID 10888286) is 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde?
The canonical SMILES for 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde is C=C1CCCC(C)(C)C1CC=O.
What is the InChIKey of 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde?
The InChIKey is WJGGZGYLEUUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8,10H,1,4-7H2,2-3H3.
What are the key properties of 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde?
2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetaldehyde is sourced from PubChem (CID 10888286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).