8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

C13H20O2 — CID 155412494

IUPAC8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCCC1=C(C(C)C)CC2(CCOC2)C1=O
InChIInChI=1S/C13H20O2/c1-4-10-11(9(2)3)7-13(12(10)14)5-6-15-8-13/h9H,4-8H2,1-3H3
InChIKeyIVKSBVQDOGTTMA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.73
Rot. Bonds2

About 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (PubChem CID 155412494) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
PubChem CID155412494
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCCC1=C(C(C)C)CC2(CCOC2)C1=O
InChIInChI=1S/C13H20O2/c1-4-10-11(9(2)3)7-13(12(10)14)5-6-15-8-13/h9H,4-8H2,1-3H3
InChIKeyIVKSBVQDOGTTMA-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (CID 155412494) is 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is CCC1=C(C(C)C)CC2(CCOC2)C1=O.
What is the InChIKey of 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The InChIKey is IVKSBVQDOGTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10-11(9(2)3)7-13(12(10)14)5-6-15-8-13/h9H,4-8H2,1-3H3.
What are the key properties of 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one has a molecular weight of 208.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 155412494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).