2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde

C12H20O2 — CID 90946003

IUPAC2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde
SMILESCCC1C(CC=O)C=CC(OC)C1C
InChIInChI=1S/C12H20O2/c1-4-11-9(2)12(14-3)6-5-10(11)7-8-13/h5-6,8-12H,4,7H2,1-3H3
InChIKeyVWTIQELVDBMFEP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds4

About 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde

2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde (PubChem CID 90946003) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde
PubChem CID90946003
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde
SMILESCCC1C(CC=O)C=CC(OC)C1C
InChIInChI=1S/C12H20O2/c1-4-11-9(2)12(14-3)6-5-10(11)7-8-13/h5-6,8-12H,4,7H2,1-3H3
InChIKeyVWTIQELVDBMFEP-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde?
The IUPAC name of 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde (CID 90946003) is 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde is CCC1C(CC=O)C=CC(OC)C1C.
What is the InChIKey of 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde?
The InChIKey is VWTIQELVDBMFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-11-9(2)12(14-3)6-5-10(11)7-8-13/h5-6,8-12H,4,7H2,1-3H3.
What are the key properties of 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde?
2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-methoxy-5-methylcyclohex-2-en-1-yl)acetaldehyde is sourced from PubChem (CID 90946003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).