2-cyclohexyl-3-methylbut-2-enal;ethane

C13H24O — CID 91397598

IUPAC2-cyclohexyl-3-methylbut-2-enal;ethane
SMILESCC.CC(C)=C(C=O)C1CCCCC1
InChIInChI=1S/C11H18O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-2/h8,10H,3-7H2,1-2H3;1-2H3
InChIKeySKNZEJWLSILFCI-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds2

About 2-cyclohexyl-3-methylbut-2-enal;ethane

2-cyclohexyl-3-methylbut-2-enal;ethane (PubChem CID 91397598) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-cyclohexyl-3-methylbut-2-enal;ethane.

Molecular Properties

Compound Name2-cyclohexyl-3-methylbut-2-enal;ethane
PubChem CID91397598
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-cyclohexyl-3-methylbut-2-enal;ethane
SMILESCC.CC(C)=C(C=O)C1CCCCC1
InChIInChI=1S/C11H18O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-2/h8,10H,3-7H2,1-2H3;1-2H3
InChIKeySKNZEJWLSILFCI-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-3-methylbut-2-enal;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
CID 155693272
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
2-cyclopentyl-2-oxoacetaldehyde
CID 21413208
3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838
N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
CID 23629184
1-cyclohexylethanethione
CID 13294348
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736
(E)-3-cyclohexylbut-2-enoic acid
CID 6537440
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
CID 87467219
1-cyclooctylethanimine
CID 142132470

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methylbut-2-enal;ethane?
The IUPAC name of 2-cyclohexyl-3-methylbut-2-enal;ethane (CID 91397598) is 2-cyclohexyl-3-methylbut-2-enal;ethane.
What is the SMILES notation for 2-cyclohexyl-3-methylbut-2-enal;ethane?
The canonical SMILES for 2-cyclohexyl-3-methylbut-2-enal;ethane is CC.CC(C)=C(C=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methylbut-2-enal;ethane?
The InChIKey is SKNZEJWLSILFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.C2H6/c1-9(2)11(8-12)10-6-4-3-5-7-10;1-2/h8,10H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2-cyclohexyl-3-methylbut-2-enal;ethane?
2-cyclohexyl-3-methylbut-2-enal;ethane has a molecular weight of 196.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methylbut-2-enal;ethane is sourced from PubChem (CID 91397598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).