bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane

C26H44 — CID 159708378

IUPACbicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
SMILESC1C2CC1C2.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2
InChIInChI=1S/C8H14.C7H12.C6H10.C5H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2
InChIKeyMYNAOYXCSXIXAT-UHFFFAOYSA-N
MW356.64 g/mol
LogP8.01
Rot. Bonds

About bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane

bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane (PubChem CID 159708378) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
PubChem CID159708378
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Namebicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
SMILESC1C2CC1C2.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2
InChIInChI=1S/C8H14.C7H12.C6H10.C5H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2
InChIKeyMYNAOYXCSXIXAT-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane 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

bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bis(bicyclo[4.2.1]nonane);bicyclo[2.2.2]octane;bicyclo[3.2.1]octane
CID 160674450
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.3]dodecane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[3.3.3]undecane;bis(bicyclo[4.3.2]undecane)
CID 158680471
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
CID 158767319
potassium;bicyclo[2.2.1]heptane;hydride
CID 173241740
bicyclo[2.2.2]octane
CID 9235
bicyclo[2.2.1]heptane;methanimine
CID 69055097
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane;cubane;ethane;methane
CID 158575482
bicyclo[2.2.1]heptane;ethane;methoxymethane
CID 144913122
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
CID 158844254
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane?
The IUPAC name of bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane (CID 159708378) is bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane.
What is the SMILES notation for bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane?
The canonical SMILES for bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane is C1C2CC1C2.C1CC2CC1C2.C1CC2CCC1C2.C1CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane?
The InChIKey is MYNAOYXCSXIXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C7H12.C6H10.C5H8/c1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h7-8H,1-6H2;6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2.
What are the key properties of bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane?
bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane has a molecular weight of 356.64 g/mol, XLogP of 8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane is sourced from PubChem (CID 159708378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).