(5S)-1-oxaspiro[4.4]nonan-9-one

C8H12O2 — CID 10606823

IUPAC(5S)-1-oxaspiro[4.4]nonan-9-one
SMILESO=C1CCC[C@]12CCCO2
InChIInChI=1S/C8H12O2/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyXKWJYHWZACPOAU-QMMMGPOBSA-N
MW140.18 g/mol
LogP1.29
Rot. Bonds

About (5S)-1-oxaspiro[4.4]nonan-9-one

(5S)-1-oxaspiro[4.4]nonan-9-one (PubChem CID 10606823) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5S)-1-oxaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(5S)-1-oxaspiro[4.4]nonan-9-one
PubChem CID10606823
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5S)-1-oxaspiro[4.4]nonan-9-one
SMILESO=C1CCC[C@]12CCCO2
InChIInChI=1S/C8H12O2/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyXKWJYHWZACPOAU-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-1-oxaspiro[4.4]nonan-9-one?
The IUPAC name of (5S)-1-oxaspiro[4.4]nonan-9-one (CID 10606823) is (5S)-1-oxaspiro[4.4]nonan-9-one.
What is the SMILES notation for (5S)-1-oxaspiro[4.4]nonan-9-one?
The canonical SMILES for (5S)-1-oxaspiro[4.4]nonan-9-one is O=C1CCC[C@]12CCCO2.
What is the InChIKey of (5S)-1-oxaspiro[4.4]nonan-9-one?
The InChIKey is XKWJYHWZACPOAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2/t8-/m0/s1.
What are the key properties of (5S)-1-oxaspiro[4.4]nonan-9-one?
(5S)-1-oxaspiro[4.4]nonan-9-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 (5S)-1-oxaspiro[4.4]nonan-9-one is sourced from PubChem (CID 10606823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).