5-oxaspiro[3.5]nonan-2-one

C8H12O2 — CID 171035049

IUPAC5-oxaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCCCO2)C1
InChIInChI=1S/C8H12O2/c9-7-5-8(6-7)3-1-2-4-10-8/h1-6H2
InChIKeyLYNVXNYDDJKCQK-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.29
Rot. Bonds

About 5-oxaspiro[3.5]nonan-2-one

5-oxaspiro[3.5]nonan-2-one (PubChem CID 171035049) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-2-one
PubChem CID171035049
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-oxaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCCCO2)C1
InChIInChI=1S/C8H12O2/c9-7-5-8(6-7)3-1-2-4-10-8/h1-6H2
InChIKeyLYNVXNYDDJKCQK-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxaspiro[3.4]octan-7-one
CID 122163504
1-oxaspiro[5.7]tridecane-2,4-dione
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1,3-dioxaspiro[5.5]undecan-4-one
CID 12574156
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
7,11-dioxaspiro[5.6]dodecane
CID 122692865
1-oxaspiro[2.7]decane
CID 13240757
(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
1,10-dioxaspiro[4.5]decan-4-one
CID 130030580
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
CID 171551994
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
2,4,8-trioxaspiro[6.6]tridecane
CID 146474220

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-2-one?
The IUPAC name of 5-oxaspiro[3.5]nonan-2-one (CID 171035049) is 5-oxaspiro[3.5]nonan-2-one.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-2-one?
The canonical SMILES for 5-oxaspiro[3.5]nonan-2-one is O=C1CC2(CCCCO2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-2-one?
The InChIKey is LYNVXNYDDJKCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-8(6-7)3-1-2-4-10-8/h1-6H2.
What are the key properties of 5-oxaspiro[3.5]nonan-2-one?
5-oxaspiro[3.5]nonan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-2-one is sourced from PubChem (CID 171035049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).