7-(1-ethoxyethyl)spiro[3.5]nonan-8-one

C13H22O2 — CID 160968155

IUPAC7-(1-ethoxyethyl)spiro[3.5]nonan-8-one
SMILESCCOC(C)C1CCC2(CCC2)CC1=O
InChIInChI=1S/C13H22O2/c1-3-15-10(2)11-5-8-13(6-4-7-13)9-12(11)14/h10-11H,3-9H2,1-2H3
InChIKeySXWZEUONWLHNIR-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds3

About 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one

7-(1-ethoxyethyl)spiro[3.5]nonan-8-one (PubChem CID 160968155) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one.

Molecular Properties

Compound Name7-(1-ethoxyethyl)spiro[3.5]nonan-8-one
PubChem CID160968155
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name7-(1-ethoxyethyl)spiro[3.5]nonan-8-one
SMILESCCOC(C)C1CCC2(CCC2)CC1=O
InChIInChI=1S/C13H22O2/c1-3-15-10(2)11-5-8-13(6-4-7-13)9-12(11)14/h10-11H,3-9H2,1-2H3
InChIKeySXWZEUONWLHNIR-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one?
The IUPAC name of 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one (CID 160968155) is 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one.
What is the SMILES notation for 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one?
The canonical SMILES for 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one is CCOC(C)C1CCC2(CCC2)CC1=O.
What is the InChIKey of 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one?
The InChIKey is SXWZEUONWLHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-15-10(2)11-5-8-13(6-4-7-13)9-12(11)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one?
7-(1-ethoxyethyl)spiro[3.5]nonan-8-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethyl)spiro[3.5]nonan-8-one is sourced from PubChem (CID 160968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).