2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane

C15H28 — CID 123434058

IUPAC2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane
SMILESCCC(C)C1CC12CC(CC)C(C)C2C
InChIInChI=1S/C15H28/c1-6-10(3)14-9-15(14)8-13(7-2)11(4)12(15)5/h10-14H,6-9H2,1-5H3
InChIKeyKWWBCSYCYOQJRJ-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds3

About 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane

2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane (PubChem CID 123434058) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane
PubChem CID123434058
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane
SMILESCCC(C)C1CC12CC(CC)C(C)C2C
InChIInChI=1S/C15H28/c1-6-10(3)14-9-15(14)8-13(7-2)11(4)12(15)5/h10-14H,6-9H2,1-5H3
InChIKeyKWWBCSYCYOQJRJ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane?
The IUPAC name of 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane (CID 123434058) is 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane?
The canonical SMILES for 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane is CCC(C)C1CC12CC(CC)C(C)C2C.
What is the InChIKey of 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane?
The InChIKey is KWWBCSYCYOQJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-10(3)14-9-15(14)8-13(7-2)11(4)12(15)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane?
2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane is sourced from PubChem (CID 123434058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).