2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]

C11H18 — CID 90853991

IUPAC2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]
SMILESCCC1CCC12C(C)C1CC12
InChIInChI=1S/C11H18/c1-3-8-4-5-11(8)7(2)9-6-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyZSGIKKGRMRCUFZ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds1

About 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]

2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane] (PubChem CID 90853991) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane].

Molecular Properties

Compound Name2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]
PubChem CID90853991
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]
SMILESCCC1CCC12C(C)C1CC12
InChIInChI=1S/C11H18/c1-3-8-4-5-11(8)7(2)9-6-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyZSGIKKGRMRCUFZ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]?
The IUPAC name of 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane] (CID 90853991) is 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane].
What is the SMILES notation for 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]?
The canonical SMILES for 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane] is CCC1CCC12C(C)C1CC12.
What is the InChIKey of 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]?
The InChIKey is ZSGIKKGRMRCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-8-4-5-11(8)7(2)9-6-10(9)11/h7-10H,3-6H2,1-2H3.
What are the key properties of 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]?
2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane] has a molecular weight of 150.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane] is sourced from PubChem (CID 90853991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).