2-butyl-1-ethyldispiro[2.0.44.13]nonane

C15H26 — CID 177350101

IUPAC2-butyl-1-ethyldispiro[2.0.44.13]nonane
SMILESCCCCC1C(CC)C12CC21CCCC1
InChIInChI=1S/C15H26/c1-3-5-8-13-12(4-2)15(13)11-14(15)9-6-7-10-14/h12-13H,3-11H2,1-2H3
InChIKeyOEBFFESBMZMEOX-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.78
Rot. Bonds4

About 2-butyl-1-ethyldispiro[2.0.44.13]nonane

2-butyl-1-ethyldispiro[2.0.44.13]nonane (PubChem CID 177350101) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2-butyl-1-ethyldispiro[2.0.44.13]nonane.

Molecular Properties

Compound Name2-butyl-1-ethyldispiro[2.0.44.13]nonane
PubChem CID177350101
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2-butyl-1-ethyldispiro[2.0.44.13]nonane
SMILESCCCCC1C(CC)C12CC21CCCC1
InChIInChI=1S/C15H26/c1-3-5-8-13-12(4-2)15(13)11-14(15)9-6-7-10-14/h12-13H,3-11H2,1-2H3
InChIKeyOEBFFESBMZMEOX-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyldispiro[2.0.44.13]nonane?
The IUPAC name of 2-butyl-1-ethyldispiro[2.0.44.13]nonane (CID 177350101) is 2-butyl-1-ethyldispiro[2.0.44.13]nonane.
What is the SMILES notation for 2-butyl-1-ethyldispiro[2.0.44.13]nonane?
The canonical SMILES for 2-butyl-1-ethyldispiro[2.0.44.13]nonane is CCCCC1C(CC)C12CC21CCCC1.
What is the InChIKey of 2-butyl-1-ethyldispiro[2.0.44.13]nonane?
The InChIKey is OEBFFESBMZMEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-8-13-12(4-2)15(13)11-14(15)9-6-7-10-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-butyl-1-ethyldispiro[2.0.44.13]nonane?
2-butyl-1-ethyldispiro[2.0.44.13]nonane has a molecular weight of 206.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyldispiro[2.0.44.13]nonane is sourced from PubChem (CID 177350101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).