2-(4-tert-butylcyclohexylidene)acetaldehyde

C12H20O — CID 10012530

IUPAC2-(4-tert-butylcyclohexylidene)acetaldehyde
SMILESCC(C)(C)C1CCC(=CC=O)CC1
InChIInChI=1S/C12H20O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h8-9,11H,4-7H2,1-3H3/b10-8-
InChIKeyMTOUKCGSMNCSHF-NTMALXAHSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-tert-butylcyclohexylidene)acetaldehyde

2-(4-tert-butylcyclohexylidene)acetaldehyde (PubChem CID 10012530) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexylidene)acetaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexylidene)acetaldehyde
PubChem CID10012530
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(4-tert-butylcyclohexylidene)acetaldehyde
SMILESCC(C)(C)C1CCC(=CC=O)CC1
InChIInChI=1S/C12H20O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h8-9,11H,4-7H2,1-3H3/b10-8-
InChIKeyMTOUKCGSMNCSHF-NTMALXAHSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexylidene)acetaldehyde?
The IUPAC name of 2-(4-tert-butylcyclohexylidene)acetaldehyde (CID 10012530) is 2-(4-tert-butylcyclohexylidene)acetaldehyde.
What is the SMILES notation for 2-(4-tert-butylcyclohexylidene)acetaldehyde?
The canonical SMILES for 2-(4-tert-butylcyclohexylidene)acetaldehyde is CC(C)(C)C1CCC(=CC=O)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexylidene)acetaldehyde?
The InChIKey is MTOUKCGSMNCSHF-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h8-9,11H,4-7H2,1-3H3/b10-8-.
What are the key properties of 2-(4-tert-butylcyclohexylidene)acetaldehyde?
2-(4-tert-butylcyclohexylidene)acetaldehyde has a molecular weight of 180.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexylidene)acetaldehyde is sourced from PubChem (CID 10012530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).