4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde

C13H20O — CID 170849861

IUPAC4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde
SMILESCC=C(CC)CC1C=CC(C=O)CC1
InChIInChI=1S/C13H20O/c1-3-11(4-2)9-12-5-7-13(10-14)8-6-12/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3
InChIKeyWNHOUTQJNOPKHC-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.51
Rot. Bonds4

About 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde

4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde (PubChem CID 170849861) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde
PubChem CID170849861
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde
SMILESCC=C(CC)CC1C=CC(C=O)CC1
InChIInChI=1S/C13H20O/c1-3-11(4-2)9-12-5-7-13(10-14)8-6-12/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3
InChIKeyWNHOUTQJNOPKHC-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbut-2-enyl)phosphirane
CID 123485530
3-[(E)-pent-2-en-3-yl]cyclopentene
CID 171069296
1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
4-(2-ethylbut-1-enyl)cyclohexane-1-carbonitrile
CID 166943874
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
(E)-N,2-diethylbut-2-en-1-amine
CID 144565288
3-(chloromethyl)pent-2-ene
CID 123349143
1-(4-propylcyclohex-2-en-1-yl)ethanone
CID 89128614
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
3-[(3E)-3-ethylideneheptyl]cyclopentene
CID 143683546
4-(2-ethylbut-1-enyl)cyclohexan-1-one
CID 69279249

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde (CID 170849861) is 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde is CC=C(CC)CC1C=CC(C=O)CC1.
What is the InChIKey of 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde?
The InChIKey is WNHOUTQJNOPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-11(4-2)9-12-5-7-13(10-14)8-6-12/h3,5,7,10,12-13H,4,6,8-9H2,1-2H3.
What are the key properties of 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde?
4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde has a molecular weight of 192.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbut-2-enyl)cyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 170849861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).