1-ethyl-4-methyltricyclo[3.1.1.12,4]octane

C11H18 — CID 163490022

IUPAC1-ethyl-4-methyltricyclo[3.1.1.12,4]octane
SMILESCCC12CC(C1)C1(C)CC2C1
InChIInChI=1S/C11H18/c1-3-11-6-8(7-11)10(2)4-9(11)5-10/h8-9H,3-7H2,1-2H3
InChIKeyCLUFISGZJSAMCI-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.22
Rot. Bonds1

About 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane

1-ethyl-4-methyltricyclo[3.1.1.12,4]octane (PubChem CID 163490022) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane.

Molecular Properties

Compound Name1-ethyl-4-methyltricyclo[3.1.1.12,4]octane
PubChem CID163490022
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name1-ethyl-4-methyltricyclo[3.1.1.12,4]octane
SMILESCCC12CC(C1)C1(C)CC2C1
InChIInChI=1S/C11H18/c1-3-11-6-8(7-11)10(2)4-9(11)5-10/h8-9H,3-7H2,1-2H3
InChIKeyCLUFISGZJSAMCI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-methyltricyclo[3.1.1.12,4]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

4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
CID 20778718
(1R)-3-cyclopropyl-1-ethylbicyclo[3.1.0]hexane
CID 163765951
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
1-ethylbicyclo[2.2.0]hexane
CID 90977886
1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 123146097
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
CID 123276891
4,4-difluoro-1-methylbicyclo[4.1.0]heptane
CID 139551138
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane?
The IUPAC name of 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane (CID 163490022) is 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane.
What is the SMILES notation for 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane?
The canonical SMILES for 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane is CCC12CC(C1)C1(C)CC2C1.
What is the InChIKey of 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane?
The InChIKey is CLUFISGZJSAMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-11-6-8(7-11)10(2)4-9(11)5-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane?
1-ethyl-4-methyltricyclo[3.1.1.12,4]octane has a molecular weight of 150.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyltricyclo[3.1.1.12,4]octane is sourced from PubChem (CID 163490022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).