3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane

C13H22 — CID 123396298

IUPAC3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
SMILESCCC1C(C)C2C3C(C)C(C)C3C12
InChIInChI=1S/C13H22/c1-5-9-8(4)12-10-6(2)7(3)11(10)13(9)12/h6-13H,5H2,1-4H3
InChIKeyKEUTVEPFQZNOCO-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.43
Rot. Bonds1

About 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane

3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane (PubChem CID 123396298) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane.

Molecular Properties

Compound Name3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
PubChem CID123396298
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
SMILESCCC1C(C)C2C3C(C)C(C)C3C12
InChIInChI=1S/C13H22/c1-5-9-8(4)12-10-6(2)7(3)11(10)13(9)12/h6-13H,5H2,1-4H3
InChIKeyKEUTVEPFQZNOCO-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
1-ethyl-2-(2-ethyl-2-methylcyclopropyl)-3-methylcyclopropane
CID 90879674
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
CID 145352950
2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
CID 163904880
3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
CID 123860685
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
5,6-diethyl-11,12-dimethyl-2,3,8,9-tetrathiatetracyclo[5.5.2.04,13.010,14]tetradecane
CID 91214830

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane?
The IUPAC name of 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane (CID 123396298) is 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane.
What is the SMILES notation for 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane?
The canonical SMILES for 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane is CCC1C(C)C2C3C(C)C(C)C3C12.
What is the InChIKey of 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane?
The InChIKey is KEUTVEPFQZNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-9-8(4)12-10-6(2)7(3)11(10)13(9)12/h6-13H,5H2,1-4H3.
What are the key properties of 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane?
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane has a molecular weight of 178.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane is sourced from PubChem (CID 123396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).