2,3-diethyl-2-methylbicyclo[2.2.1]heptane

C12H22 — CID 58670456

IUPAC2,3-diethyl-2-methylbicyclo[2.2.1]heptane
SMILESCCC1C2CCC(C2)C1(C)CC
InChIInChI=1S/C12H22/c1-4-11-9-6-7-10(8-9)12(11,3)5-2/h9-11H,4-8H2,1-3H3
InChIKeyZLTZASSWSHEDPI-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About 2,3-diethyl-2-methylbicyclo[2.2.1]heptane

2,3-diethyl-2-methylbicyclo[2.2.1]heptane (PubChem CID 58670456) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,3-diethyl-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-diethyl-2-methylbicyclo[2.2.1]heptane
PubChem CID58670456
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,3-diethyl-2-methylbicyclo[2.2.1]heptane
SMILESCCC1C2CCC(C2)C1(C)CC
InChIInChI=1S/C12H22/c1-4-11-9-6-7-10(8-9)12(11,3)5-2/h9-11H,4-8H2,1-3H3
InChIKeyZLTZASSWSHEDPI-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,3S,4S)-3-ethyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833686
(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
3-ethyl-2,2-bis(prop-2-enoxymethyl)bicyclo[2.2.1]heptane
CID 139896297
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626
(1S,3S,4R)-2,2-dimethyl-3-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 95241864
(1S,2S,4R)-3,3-diethylbicyclo[2.2.1]heptan-2-amine
CID 164833516
(3-ethyl-8-methyl-8-bicyclo[3.2.1]octanyl)methanethiol
CID 130388763
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 21332842
2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
CID 20706073
(E)-5-[(1S,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]pent-3-en-2-one
CID 19181326

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2,3-diethyl-2-methylbicyclo[2.2.1]heptane (CID 58670456) is 2,3-diethyl-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-diethyl-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-diethyl-2-methylbicyclo[2.2.1]heptane is CCC1C2CCC(C2)C1(C)CC.
What is the InChIKey of 2,3-diethyl-2-methylbicyclo[2.2.1]heptane?
The InChIKey is ZLTZASSWSHEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-11-9-6-7-10(8-9)12(11,3)5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,3-diethyl-2-methylbicyclo[2.2.1]heptane?
2,3-diethyl-2-methylbicyclo[2.2.1]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58670456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).