4-ethoxycyclohexene-1-carbaldehyde

C9H14O2 — CID 130026327

IUPAC4-ethoxycyclohexene-1-carbaldehyde
SMILESCCOC1CC=C(C=O)CC1
InChIInChI=1S/C9H14O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3,7,9H,2,4-6H2,1H3
InChIKeyFPOMAINZWZWFJI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 4-ethoxycyclohexene-1-carbaldehyde

4-ethoxycyclohexene-1-carbaldehyde (PubChem CID 130026327) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethoxycyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-ethoxycyclohexene-1-carbaldehyde
PubChem CID130026327
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethoxycyclohexene-1-carbaldehyde
SMILESCCOC1CC=C(C=O)CC1
InChIInChI=1S/C9H14O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3,7,9H,2,4-6H2,1H3
InChIKeyFPOMAINZWZWFJI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxycyclohexene-1-carbaldehyde
CID 45083393
4,4-Dimethoxycyclohexene-1-carbaldehyde
CID 12782331
4-Butoxycyclohexene-1-carbaldehyde
CID 88913206
4-(4-Acetylcyclohex-3-en-1-yl)oxybutanal
CID 90136730
4-Hydroxycyclohexene-1-carbaldehyde
CID 121280663
5-(Cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde
CID 123443959
3,4,5a,6,9,9a-hexahydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 123781970
4-[Tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
CID 154052262
(4-Formylcyclohex-3-en-1-yl) hypoiodite
CID 164125840
(Z)-5-propan-2-yloxydec-7-enal
CID 167176028
4-(Trioxidanyl)cyclohexene-1-carbaldehyde
CID 177954758
4-Methoxy-3,3-dimethylcyclohexene-1-carbaldehyde
CID 12740271

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycyclohexene-1-carbaldehyde?
The IUPAC name of 4-ethoxycyclohexene-1-carbaldehyde (CID 130026327) is 4-ethoxycyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-ethoxycyclohexene-1-carbaldehyde?
The canonical SMILES for 4-ethoxycyclohexene-1-carbaldehyde is CCOC1CC=C(C=O)CC1.
What is the InChIKey of 4-ethoxycyclohexene-1-carbaldehyde?
The InChIKey is FPOMAINZWZWFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3,7,9H,2,4-6H2,1H3.
What are the key properties of 4-ethoxycyclohexene-1-carbaldehyde?
4-ethoxycyclohexene-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycyclohexene-1-carbaldehyde is sourced from PubChem (CID 130026327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).