3-butyl-3-ethylbicyclo[3.1.0]hexane

C12H22 — CID 123968523

IUPAC3-butyl-3-ethylbicyclo[3.1.0]hexane
SMILESCCCCC1(CC)CC2CC2C1
InChIInChI=1S/C12H22/c1-3-5-6-12(4-2)8-10-7-11(10)9-12/h10-11H,3-9H2,1-2H3
InChIKeySCBMNAVSSOSBPA-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds4

About 3-butyl-3-ethylbicyclo[3.1.0]hexane

3-butyl-3-ethylbicyclo[3.1.0]hexane (PubChem CID 123968523) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-butyl-3-ethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-butyl-3-ethylbicyclo[3.1.0]hexane
PubChem CID123968523
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-butyl-3-ethylbicyclo[3.1.0]hexane
SMILESCCCCC1(CC)CC2CC2C1
InChIInChI=1S/C12H22/c1-3-5-6-12(4-2)8-10-7-11(10)9-12/h10-11H,3-9H2,1-2H3
InChIKeySCBMNAVSSOSBPA-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-ethylbicyclo[3.1.0]hexane?
The IUPAC name of 3-butyl-3-ethylbicyclo[3.1.0]hexane (CID 123968523) is 3-butyl-3-ethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-butyl-3-ethylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-butyl-3-ethylbicyclo[3.1.0]hexane is CCCCC1(CC)CC2CC2C1.
What is the InChIKey of 3-butyl-3-ethylbicyclo[3.1.0]hexane?
The InChIKey is SCBMNAVSSOSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-6-12(4-2)8-10-7-11(10)9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-butyl-3-ethylbicyclo[3.1.0]hexane?
3-butyl-3-ethylbicyclo[3.1.0]hexane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-ethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).