3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane

C12H20 — CID 123539438

IUPAC3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane
SMILESCCC12C(C)C3CC(C1C)C2C3
InChIInChI=1S/C12H20/c1-4-12-7(2)9-5-10(8(12)3)11(12)6-9/h7-11H,4-6H2,1-3H3
InChIKeyJPQMAHQUEOWQKN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds1

About 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane

3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane (PubChem CID 123539438) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane
PubChem CID123539438
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane
SMILESCCC12C(C)C3CC(C1C)C2C3
InChIInChI=1S/C12H20/c1-4-12-7(2)9-5-10(8(12)3)11(12)6-9/h7-11H,4-6H2,1-3H3
InChIKeyJPQMAHQUEOWQKN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane
CID 123606065
2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
CID 123750817
2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
CID 123804312
[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 139754075
7-cyclopentyl-7-ethyl-6,8,9-trimethyl-2,3,4,4a,5,6,8,9,10,10a-decahydro-1H-benzo[8]annulene
CID 163961288
1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145
2-ethylspiro[cyclopropane-1,3'-tricyclo[4.1.0.02,4]heptane]
CID 163933579
2-(2-ethyl-2-methylcyclopropyl)-3-methylbicyclo[2.1.0]pentane
CID 123925093
10-ethyl-1,11,15,18-tetramethyltetracyclo[10.6.1.03,10.014,16]nonadecane
CID 123563200
1,2-diethyl-4-methylbicyclo[1.1.0]butane
CID 123294287
1-ethyl-2,4-dimethyladamantane
CID 90877999
4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 143326034

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane?
The IUPAC name of 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane (CID 123539438) is 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane.
What is the SMILES notation for 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane?
The canonical SMILES for 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane is CCC12C(C)C3CC(C1C)C2C3.
What is the InChIKey of 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane?
The InChIKey is JPQMAHQUEOWQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12-7(2)9-5-10(8(12)3)11(12)6-9/h7-11H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane?
3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane is sourced from PubChem (CID 123539438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).