2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde

C10H16O2 — CID 88543663

IUPAC2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde
SMILESCCOC1=CCCCC1CC=O
InChIInChI=1S/C10H16O2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h6,8-9H,2-5,7H2,1H3
InChIKeyKTRQMLDHVIQFBR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde

2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde (PubChem CID 88543663) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde
PubChem CID88543663
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde
SMILESCCOC1=CCCCC1CC=O
InChIInChI=1S/C10H16O2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h6,8-9H,2-5,7H2,1H3
InChIKeyKTRQMLDHVIQFBR-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde?
The IUPAC name of 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde (CID 88543663) is 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde is CCOC1=CCCCC1CC=O.
What is the InChIKey of 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde?
The InChIKey is KTRQMLDHVIQFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-12-10-6-4-3-5-9(10)7-8-11/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde?
2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde has a molecular weight of 168.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclohex-2-en-1-yl)acetaldehyde is sourced from PubChem (CID 88543663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).