1-oxaspiro[5.5]undec-3-en-2-one

C10H14O2 — CID 19912101

IUPAC1-oxaspiro[5.5]undec-3-en-2-one
SMILESO=C1C=CCC2(CCCCC2)O1
InChIInChI=1S/C10H14O2/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h4-5H,1-3,6-8H2
InChIKeyCLNVVGRCERCTEV-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds

About 1-oxaspiro[5.5]undec-3-en-2-one

1-oxaspiro[5.5]undec-3-en-2-one (PubChem CID 19912101) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undec-3-en-2-one.

Molecular Properties

Compound Name1-oxaspiro[5.5]undec-3-en-2-one
PubChem CID19912101
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-oxaspiro[5.5]undec-3-en-2-one
SMILESO=C1C=CCC2(CCCCC2)O1
InChIInChI=1S/C10H14O2/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h4-5H,1-3,6-8H2
InChIKeyCLNVVGRCERCTEV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undec-3-en-2-one?
The IUPAC name of 1-oxaspiro[5.5]undec-3-en-2-one (CID 19912101) is 1-oxaspiro[5.5]undec-3-en-2-one.
What is the SMILES notation for 1-oxaspiro[5.5]undec-3-en-2-one?
The canonical SMILES for 1-oxaspiro[5.5]undec-3-en-2-one is O=C1C=CCC2(CCCCC2)O1.
What is the InChIKey of 1-oxaspiro[5.5]undec-3-en-2-one?
The InChIKey is CLNVVGRCERCTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h4-5H,1-3,6-8H2.
What are the key properties of 1-oxaspiro[5.5]undec-3-en-2-one?
1-oxaspiro[5.5]undec-3-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undec-3-en-2-one is sourced from PubChem (CID 19912101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).