4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane

C12H22 — CID 18387148

IUPAC4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane
SMILESCCC1CCC2(C(C)C)CC2C1
InChIInChI=1S/C12H22/c1-4-10-5-6-12(9(2)3)8-11(12)7-10/h9-11H,4-8H2,1-3H3
InChIKeyUDFXEANQMLVJNC-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane

4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 18387148) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID18387148
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane
SMILESCCC1CCC2(C(C)C)CC2C1
InChIInChI=1S/C12H22/c1-4-10-5-6-12(9(2)3)8-11(12)7-10/h9-11H,4-8H2,1-3H3
InChIKeyUDFXEANQMLVJNC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane (CID 18387148) is 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane is CCC1CCC2(C(C)C)CC2C1.
What is the InChIKey of 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is UDFXEANQMLVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-10-5-6-12(9(2)3)8-11(12)7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane?
4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 18387148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).