3,3-diethylbicyclo[3.1.1]heptane

C11H20 — CID 140814680

IUPAC3,3-diethylbicyclo[3.1.1]heptane
SMILESCCC1(CC)CC2CC(C2)C1
InChIInChI=1S/C11H20/c1-3-11(4-2)7-9-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3
InChIKeyYONJXCYYNNECBH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 3,3-diethylbicyclo[3.1.1]heptane

3,3-diethylbicyclo[3.1.1]heptane (PubChem CID 140814680) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,3-diethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3,3-diethylbicyclo[3.1.1]heptane
PubChem CID140814680
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,3-diethylbicyclo[3.1.1]heptane
SMILESCCC1(CC)CC2CC(C2)C1
InChIInChI=1S/C11H20/c1-3-11(4-2)7-9-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3
InChIKeyYONJXCYYNNECBH-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(1-adamantyl)butan-2-ylphosphane
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1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
CID 138626102
1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane
CID 148656254
2,2-diethyladamantan-1-ol
CID 22670607
Adamantylsilicone
CID 18798576
1-adamantyl(triethyl)azanium hydroxide
CID 53482582
adamantane;1-methyladamantane
CID 53425859

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylbicyclo[3.1.1]heptane?
The IUPAC name of 3,3-diethylbicyclo[3.1.1]heptane (CID 140814680) is 3,3-diethylbicyclo[3.1.1]heptane.
What is the SMILES notation for 3,3-diethylbicyclo[3.1.1]heptane?
The canonical SMILES for 3,3-diethylbicyclo[3.1.1]heptane is CCC1(CC)CC2CC(C2)C1.
What is the InChIKey of 3,3-diethylbicyclo[3.1.1]heptane?
The InChIKey is YONJXCYYNNECBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-11(4-2)7-9-5-10(6-9)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,3-diethylbicyclo[3.1.1]heptane?
3,3-diethylbicyclo[3.1.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 140814680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).