(5S)-1,10-dioxaspiro[4.5]decan-2-one

C8H12O3 — CID 10630744

IUPAC(5S)-1,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCCO2)O1
InChIInChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyYFVHVXQMVVESQB-QMMMGPOBSA-N
MW156.18 g/mol
LogP1.22
Rot. Bonds

About (5S)-1,10-dioxaspiro[4.5]decan-2-one

(5S)-1,10-dioxaspiro[4.5]decan-2-one (PubChem CID 10630744) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5S)-1,10-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-1,10-dioxaspiro[4.5]decan-2-one
PubChem CID10630744
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5S)-1,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCCO2)O1
InChIInChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h1-6H2/t8-/m0/s1
InChIKeyYFVHVXQMVVESQB-QMMMGPOBSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dioxaspiro[4.5]decan-2-one
CID 12501447
1,6-Dioxaspiro[4.5]decan-9-one
CID 11051896
1,4,7,11-Tetraoxadispiro[4.0.46.45]tetradecan-8-one
CID 23584582
1,10-Dioxaspiro[4.5]decane-2,9-dione
CID 69129924
5-Ethoxy-5-pentyloxolan-2-one
CID 90393352
(5R)-1,10-dioxaspiro[4.5]decan-2-one
CID 132526223

Frequently Asked Questions

What is the IUPAC name of (5S)-1,10-dioxaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-1,10-dioxaspiro[4.5]decan-2-one (CID 10630744) is (5S)-1,10-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-1,10-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-1,10-dioxaspiro[4.5]decan-2-one is O=C1CC[C@]2(CCCCO2)O1.
What is the InChIKey of (5S)-1,10-dioxaspiro[4.5]decan-2-one?
The InChIKey is YFVHVXQMVVESQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h1-6H2/t8-/m0/s1.
What are the key properties of (5S)-1,10-dioxaspiro[4.5]decan-2-one?
(5S)-1,10-dioxaspiro[4.5]decan-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,10-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 10630744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).