1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane

C11H20 — CID 176984621

IUPAC1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
SMILESCCC12CCC(C(C)C)(C1)C2
InChIInChI=1S/C11H20/c1-4-10-5-6-11(7-10,8-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyHKQWDVBKRCQZIV-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane

1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane (PubChem CID 176984621) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
PubChem CID176984621
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
SMILESCCC12CCC(C(C)C)(C1)C2
InChIInChI=1S/C11H20/c1-4-10-5-6-11(7-10,8-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyHKQWDVBKRCQZIV-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

Analyze 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
CID 142382393
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
1-ethyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
CID 3053992
1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
CID 175331863
1-ethyl-4-[[4-[(4-ethyl-1-bicyclo[2.2.2]octanyl)methyl]cyclohexyl]methyl]bicyclo[2.2.2]octane
CID 58776428
1-ethyl-2,2-difluoro-1-propan-2-ylcyclopropane
CID 89275697
2-ethyl-2-propan-2-ylimidazolidine
CID 140550037
5-ethyl-1,3-dimethylbicyclo[3.2.1]oct-2-ene
CID 172628700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane?
The IUPAC name of 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane (CID 176984621) is 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane.
What is the SMILES notation for 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane?
The canonical SMILES for 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane is CCC12CCC(C(C)C)(C1)C2.
What is the InChIKey of 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane?
The InChIKey is HKQWDVBKRCQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-10-5-6-11(7-10,8-10)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane?
1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane 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 1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane is sourced from PubChem (CID 176984621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).