4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

C10H14O — CID 10920683

IUPAC4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)C(C)(C)C1
InChIInChI=1S/C10H14O/c1-8-4-5-9(7-11)10(2,3)6-8/h4-5,7H,6H2,1-3H3
InChIKeyAGOZFZVIFYEFGK-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds1

About 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 10920683) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID10920683
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)C(C)(C)C1
InChIInChI=1S/C10H14O/c1-8-4-5-9(7-11)10(2,3)6-8/h4-5,7H,6H2,1-3H3
InChIKeyAGOZFZVIFYEFGK-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde (CID 10920683) is 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde is CC1=CC=C(C=O)C(C)(C)C1.
What is the InChIKey of 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is AGOZFZVIFYEFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-4-5-9(7-11)10(2,3)6-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 10920683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).