2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one

C10H14O2 — CID 130933955

IUPAC2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one
SMILESCC1(C)CC2(CC(=O)C=CO2)C1
InChIInChI=1S/C10H14O2/c1-9(2)6-10(7-9)5-8(11)3-4-12-10/h3-4H,5-7H2,1-2H3
InChIKeySBMQDODQTLXVRF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds

About 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one

2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one (PubChem CID 130933955) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one.

Molecular Properties

Compound Name2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one
PubChem CID130933955
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one
SMILESCC1(C)CC2(CC(=O)C=CO2)C1
InChIInChI=1S/C10H14O2/c1-9(2)6-10(7-9)5-8(11)3-4-12-10/h3-4H,5-7H2,1-2H3
InChIKeySBMQDODQTLXVRF-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one?
The IUPAC name of 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one (CID 130933955) is 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one.
What is the SMILES notation for 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one?
The canonical SMILES for 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one is CC1(C)CC2(CC(=O)C=CO2)C1.
What is the InChIKey of 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one?
The InChIKey is SBMQDODQTLXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(2)6-10(7-9)5-8(11)3-4-12-10/h3-4H,5-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one?
2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one has a molecular weight of 166.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxaspiro[3.5]non-6-en-8-one is sourced from PubChem (CID 130933955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).