2-butylbicyclo[2.2.1]heptane

C11H20 — CID 565406

IUPAC2-butylbicyclo[2.2.1]heptane
SMILESCCCCC1CC2CCC1C2
InChIInChI=1S/C11H20/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9-11H,2-8H2,1H3
InChIKeyKAYVFZJAIXHFTB-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds3

About 2-butylbicyclo[2.2.1]heptane

2-butylbicyclo[2.2.1]heptane (PubChem CID 565406) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-butylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-butylbicyclo[2.2.1]heptane
PubChem CID565406
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-butylbicyclo[2.2.1]heptane
SMILESCCCCC1CC2CCC1C2
InChIInChI=1S/C11H20/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9-11H,2-8H2,1H3
InChIKeyKAYVFZJAIXHFTB-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-butylbicyclo[2.2.1]heptane?
The IUPAC name of 2-butylbicyclo[2.2.1]heptane (CID 565406) is 2-butylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-butylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-butylbicyclo[2.2.1]heptane is CCCCC1CC2CCC1C2.
What is the InChIKey of 2-butylbicyclo[2.2.1]heptane?
The InChIKey is KAYVFZJAIXHFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-butylbicyclo[2.2.1]heptane?
2-butylbicyclo[2.2.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylbicyclo[2.2.1]heptane is sourced from PubChem (CID 565406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).