1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane

C13H22O — CID 143344494

IUPAC1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane
SMILESC=C(OC)C12CCC(CC)(CC1)CC2
InChIInChI=1S/C13H22O/c1-4-12-5-8-13(9-6-12,10-7-12)11(2)14-3/h2,4-10H2,1,3H3
InChIKeyDUAFJOTVTRRTFV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds3

About 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane

1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane (PubChem CID 143344494) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane
PubChem CID143344494
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane
SMILESC=C(OC)C12CCC(CC)(CC1)CC2
InChIInChI=1S/C13H22O/c1-4-12-5-8-13(9-6-12,10-7-12)11(2)14-3/h2,4-10H2,1,3H3
InChIKeyDUAFJOTVTRRTFV-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane 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

methyl 4-(1-methoxyethenyl)bicyclo[2.2.2]octane-1-carboxylate
CID 143344855
(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
CID 142040492
2-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylethanamine
CID 143343764
methyl 2-(1-ethylcyclopropyl)prop-2-enoate
CID 91291390
[methoxy-(4-pentyl-1-bicyclo[2.2.2]octanyl)methylidene]-methylazanium
CID 20755113
methyl 4-(2-oxoethyl)bicyclo[2.2.2]octane-1-carboxylate
CID 163320994
1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
CID 142382393
5-(1-methoxyethenyl)adamantan-2-ol
CID 118457316
methyl 4-(3-amino-2-oxopropyl)bicyclo[2.2.2]octane-1-carboxylate
CID 157474072
methyl 4-[(propan-2-ylamino)methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 156619989
methyl 4-(2-oxoethyl)bicyclo[2.2.1]heptane-1-carboxylate
CID 135392728
1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
CID 175331863

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane (CID 143344494) is 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane is C=C(OC)C12CCC(CC)(CC1)CC2.
What is the InChIKey of 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane?
The InChIKey is DUAFJOTVTRRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-12-5-8-13(9-6-12,10-7-12)11(2)14-3/h2,4-10H2,1,3H3.
What are the key properties of 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane?
1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane has a molecular weight of 194.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 143344494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).