2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane

C12H20 — CID 123804312

IUPAC2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
SMILESCCC1CC2C1C1C(C)C21CC
InChIInChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3
InChIKeyKBUJEQXWSPXKGN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds2

About 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane

2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane (PubChem CID 123804312) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane.

Molecular Properties

Compound Name2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
PubChem CID123804312
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane
SMILESCCC1CC2C1C1C(C)C21CC
InChIInChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3
InChIKeyKBUJEQXWSPXKGN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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
1,2-diethyl-4-methylbicyclo[1.1.0]butane
CID 123294287
2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
CID 123750817
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
3-ethyl-2,4-dimethyltricyclo[3.2.1.03,6]octane
CID 123539438
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983
(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]
CID 163435707
2,5-diethylbicyclo[2.1.0]pentane
CID 123547892
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
3,12-diethyl-6-iodo-5,7,10,19-tetramethylpentacyclo[12.3.2.03,17.04,7.011,16]nonadecan-6-amine
CID 130311622

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The IUPAC name of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane (CID 123804312) is 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane.
What is the SMILES notation for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The canonical SMILES for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane is CCC1CC2C1C1C(C)C21CC.
What is the InChIKey of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
The InChIKey is KBUJEQXWSPXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-8-6-9-10(8)11-7(3)12(9,11)5-2/h7-11H,4-6H2,1-3H3.
What are the key properties of 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane?
2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3-methyltricyclo[3.2.0.02,4]heptane is sourced from PubChem (CID 123804312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).