1-oxaspiro[5.5]undec-2-en-5-one

C10H14O2 — CID 15155872

IUPAC1-oxaspiro[5.5]undec-2-en-5-one
SMILESO=C1CC=COC12CCCCC2
InChIInChI=1S/C10H14O2/c11-9-5-4-8-12-10(9)6-2-1-3-7-10/h4,8H,1-3,5-7H2
InChIKeyNAHAUFGKGWTMKW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds

About 1-oxaspiro[5.5]undec-2-en-5-one

1-oxaspiro[5.5]undec-2-en-5-one (PubChem CID 15155872) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undec-2-en-5-one.

Molecular Properties

Compound Name1-oxaspiro[5.5]undec-2-en-5-one
PubChem CID15155872
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-oxaspiro[5.5]undec-2-en-5-one
SMILESO=C1CC=COC12CCCCC2
InChIInChI=1S/C10H14O2/c11-9-5-4-8-12-10(9)6-2-1-3-7-10/h4,8H,1-3,5-7H2
InChIKeyNAHAUFGKGWTMKW-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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Related Compounds

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CID 12308376
1-Oxaspiro[4.5]dec-2-en-4-one
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2,5-Bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde
CID 19809797
1-Oxaspiro[4.5]dec-2-ene-4,8-dione
CID 68715013
2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran
CID 88666939
4-Methylpent-1-enyl 2-cyclohexyl-2-oxoacetate
CID 140995903
2-Methoxy-2-prop-2-enylcyclohexan-1-one
CID 11378728
4-(3-oxopentyl)-4H-pyran-3-one
CID 11787547
(4R)-4-(3-oxopentyl)-4H-pyran-3-one
CID 101032357
1-Cyclohexyl-2-pent-4-enoxyethanone
CID 104752146
1-(1-Methoxycyclohexyl)oct-7-en-1-one
CID 107008406
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CID 113904432

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undec-2-en-5-one?
The IUPAC name of 1-oxaspiro[5.5]undec-2-en-5-one (CID 15155872) is 1-oxaspiro[5.5]undec-2-en-5-one.
What is the SMILES notation for 1-oxaspiro[5.5]undec-2-en-5-one?
The canonical SMILES for 1-oxaspiro[5.5]undec-2-en-5-one is O=C1CC=COC12CCCCC2.
What is the InChIKey of 1-oxaspiro[5.5]undec-2-en-5-one?
The InChIKey is NAHAUFGKGWTMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-4-8-12-10(9)6-2-1-3-7-10/h4,8H,1-3,5-7H2.
What are the key properties of 1-oxaspiro[5.5]undec-2-en-5-one?
1-oxaspiro[5.5]undec-2-en-5-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-2-en-5-one is sourced from PubChem (CID 15155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).