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

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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).