1-ethyltricyclo[2.2.1.02,6]heptane

C9H14 — CID 12951260

IUPAC1-ethyltricyclo[2.2.1.02,6]heptane
SMILESCCC12CC3CC1C2C3
InChIInChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3
InChIKeyLREXOFOLJCLIQB-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyltricyclo[2.2.1.02,6]heptane

1-ethyltricyclo[2.2.1.02,6]heptane (PubChem CID 12951260) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyltricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name1-ethyltricyclo[2.2.1.02,6]heptane
PubChem CID12951260
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyltricyclo[2.2.1.02,6]heptane
SMILESCCC12CC3CC1C2C3
InChIInChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3
InChIKeyLREXOFOLJCLIQB-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate
CID 138567153
(1R,2R,4S,6R,7S,9S,11R,12S)-1,2-diethoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 42602354
(1R,2S,4R,6R)-1-ethyltricyclo[2.2.1.02,6]heptan-3-one
CID 40557881
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 123146097
(2R,7R,11S,12S)-1-(2-bromoethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 71623652
1-cyclopropyl-1-ethyl-2-methylcyclopropane
CID 22389706
(6-ethyl-2-methyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 89090386
(6R)-tricyclo[2.2.1.02,6]heptan-1-ol
CID 135045430
(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
CID 124776227
3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
CID 147477215

Frequently Asked Questions

What is the IUPAC name of 1-ethyltricyclo[2.2.1.02,6]heptane?
The IUPAC name of 1-ethyltricyclo[2.2.1.02,6]heptane (CID 12951260) is 1-ethyltricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 1-ethyltricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 1-ethyltricyclo[2.2.1.02,6]heptane is CCC12CC3CC1C2C3.
What is the InChIKey of 1-ethyltricyclo[2.2.1.02,6]heptane?
The InChIKey is LREXOFOLJCLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 1-ethyltricyclo[2.2.1.02,6]heptane?
1-ethyltricyclo[2.2.1.02,6]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyltricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 12951260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).