3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]

C15H26 — CID 139233763

IUPAC3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
SMILESCCC1(C)CC2(C1)C1CCC(C1)C2(C)C
InChIInChI=1S/C15H26/c1-5-14(4)9-15(10-14)12-7-6-11(8-12)13(15,2)3/h11-12H,5-10H2,1-4H3
InChIKeyBGPSDIZGWGMRQC-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds1

About 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]

3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane] (PubChem CID 139233763) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane].

Molecular Properties

Compound Name3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
PubChem CID139233763
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
SMILESCCC1(C)CC2(C1)C1CCC(C1)C2(C)C
InChIInChI=1S/C15H26/c1-5-14(4)9-15(10-14)12-7-6-11(8-12)13(15,2)3/h11-12H,5-10H2,1-4H3
InChIKeyBGPSDIZGWGMRQC-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]?
The IUPAC name of 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane] (CID 139233763) is 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane].
What is the SMILES notation for 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]?
The canonical SMILES for 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane] is CCC1(C)CC2(C1)C1CCC(C1)C2(C)C.
What is the InChIKey of 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]?
The InChIKey is BGPSDIZGWGMRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-14(4)9-15(10-14)12-7-6-11(8-12)13(15,2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]?
3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane] has a molecular weight of 206.37 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane] is sourced from PubChem (CID 139233763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).