2,7-diethylbicyclo[2.2.1]heptane

C11H20 — CID 146718976

IUPAC2,7-diethylbicyclo[2.2.1]heptane
SMILESCCC1CC2CCC1C2CC
InChIInChI=1S/C11H20/c1-3-8-7-9-5-6-11(8)10(9)4-2/h8-11H,3-7H2,1-2H3
InChIKeyCUTKHWCTWZOIER-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds2

About 2,7-diethylbicyclo[2.2.1]heptane

2,7-diethylbicyclo[2.2.1]heptane (PubChem CID 146718976) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,7-diethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,7-diethylbicyclo[2.2.1]heptane
PubChem CID146718976
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,7-diethylbicyclo[2.2.1]heptane
SMILESCCC1CC2CCC1C2CC
InChIInChI=1S/C11H20/c1-3-8-7-9-5-6-11(8)10(9)4-2/h8-11H,3-7H2,1-2H3
InChIKeyCUTKHWCTWZOIER-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
CID 67929401
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
CID 143247210
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
CID 123785959
2,5-diethylbicyclo[2.1.0]pentane
CID 123547892

Frequently Asked Questions

What is the IUPAC name of 2,7-diethylbicyclo[2.2.1]heptane?
The IUPAC name of 2,7-diethylbicyclo[2.2.1]heptane (CID 146718976) is 2,7-diethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,7-diethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,7-diethylbicyclo[2.2.1]heptane is CCC1CC2CCC1C2CC.
What is the InChIKey of 2,7-diethylbicyclo[2.2.1]heptane?
The InChIKey is CUTKHWCTWZOIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-8-7-9-5-6-11(8)10(9)4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 2,7-diethylbicyclo[2.2.1]heptane?
2,7-diethylbicyclo[2.2.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 146718976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).