2-ethoxycyclohex-3-ene-1-carbaldehyde

C9H14O2 — CID 78063313

IUPAC2-ethoxycyclohex-3-ene-1-carbaldehyde
SMILESCCOC1C=CCCC1C=O
InChIInChI=1S/C9H14O2/c1-2-11-9-6-4-3-5-8(9)7-10/h4,6-9H,2-3,5H2,1H3
InChIKeyDMNPATRDUSBTAD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds3

About 2-ethoxycyclohex-3-ene-1-carbaldehyde

2-ethoxycyclohex-3-ene-1-carbaldehyde (PubChem CID 78063313) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethoxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-ethoxycyclohex-3-ene-1-carbaldehyde
PubChem CID78063313
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethoxycyclohex-3-ene-1-carbaldehyde
SMILESCCOC1C=CCCC1C=O
InChIInChI=1S/C9H14O2/c1-2-11-9-6-4-3-5-8(9)7-10/h4,6-9H,2-3,5H2,1H3
InChIKeyDMNPATRDUSBTAD-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
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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Related Compounds

8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dimethyl-
CID 557211
(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 2755133
rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
CID 6915682
[(1S,6R)-6-formylcyclohex-2-en-1-yl] acetate
CID 11194556
5-Acetyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 12271757
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)propan-1-one
CID 14091335
1-[(1R, 2S)-2-Methoxycyclohex-3-en-1-yl]-propan-1-one
CID 57847649
[(1R,6S)-6-formylcyclohex-2-en-1-yl] acetate
CID 96009201
1-(3-Acetyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanone
CID 21344831
(6aR,10aR)-3,4,6a,7,8,10a-hexahydro-2H-1,5-benzodioxocin-6-one
CID 10655009
(1R,2S)-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 11062599
(1S,2S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11094814

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2-ethoxycyclohex-3-ene-1-carbaldehyde (CID 78063313) is 2-ethoxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2-ethoxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2-ethoxycyclohex-3-ene-1-carbaldehyde is CCOC1C=CCCC1C=O.
What is the InChIKey of 2-ethoxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is DMNPATRDUSBTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-6-4-3-5-8(9)7-10/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 2-ethoxycyclohex-3-ene-1-carbaldehyde?
2-ethoxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 78063313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).