4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane

C12H20 — CID 20778718

IUPAC4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
SMILESCCC12CC1C1CC(C2)C1(C)C
InChIInChI=1S/C12H20/c1-4-12-6-8-5-9(10(12)7-12)11(8,2)3/h8-10H,4-7H2,1-3H3
InChIKeyHXSBJLVPRRESRI-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds1

About 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane

4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane (PubChem CID 20778718) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane.

Molecular Properties

Compound Name4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
PubChem CID20778718
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
SMILESCCC12CC1C1CC(C2)C1(C)C
InChIInChI=1S/C12H20/c1-4-12-6-8-5-9(10(12)7-12)11(8,2)3/h8-10H,4-7H2,1-3H3
InChIKeyHXSBJLVPRRESRI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-methyltricyclo[3.1.1.12,4]octane
CID 163490022
1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 123146097
(1R)-3-cyclopropyl-1-ethylbicyclo[3.1.0]hexane
CID 163765951
(1S,6S)-4,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 169187540
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246
(1S,3S,5R)-6,6-dimethyl-3-propylbicyclo[3.1.1]heptan-2-amine
CID 58974255
[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
CID 68527765
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
CID 162243036
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232704
CID 174249926
CID 174249926

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane?
The IUPAC name of 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane (CID 20778718) is 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane.
What is the SMILES notation for 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane?
The canonical SMILES for 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane is CCC12CC1C1CC(C2)C1(C)C.
What is the InChIKey of 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane?
The InChIKey is HXSBJLVPRRESRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12-6-8-5-9(10(12)7-12)11(8,2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane?
4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane is sourced from PubChem (CID 20778718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).