1,6-dioxaspiro[4.5]decan-9-one

C8H12O3 — CID 11051896

IUPAC1,6-dioxaspiro[4.5]decan-9-one
SMILESO=C1CCOC2(CCCO2)C1
InChIInChI=1S/C8H12O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h1-6H2
InChIKeyMVRKHNGXDRCHKZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds

About 1,6-dioxaspiro[4.5]decan-9-one

1,6-dioxaspiro[4.5]decan-9-one (PubChem CID 11051896) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name1,6-dioxaspiro[4.5]decan-9-one
PubChem CID11051896
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,6-dioxaspiro[4.5]decan-9-one
SMILESO=C1CCOC2(CCCO2)C1
InChIInChI=1S/C8H12O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h1-6H2
InChIKeyMVRKHNGXDRCHKZ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-Dioxaspiro[5.5]undecan-4-one
CID 11217490
1,6-Dioxaspiro[4.5]decan-2-one
CID 12501447
(5S)-1,10-dioxaspiro[4.5]decan-2-one
CID 10630744
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 13429320
1-Methoxy-8-oxabicyclo[3.2.1]octan-3-one
CID 142660788
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 13429321
1-(2-Methoxyoxolan-2-yl)propan-2-one
CID 13927491
(1R,5S,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 21668494
1,10-Dioxaspiro[4.5]decan-4-one
CID 130030580
(5S,7R)-7-methyl-1,6-dioxaspiro[4.5]decan-9-one
CID 130754319
(1S,5R,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 130914741
(5R)-1,10-dioxaspiro[4.5]decan-2-one
CID 132526223

Frequently Asked Questions

What is the IUPAC name of 1,6-dioxaspiro[4.5]decan-9-one?
The IUPAC name of 1,6-dioxaspiro[4.5]decan-9-one (CID 11051896) is 1,6-dioxaspiro[4.5]decan-9-one.
What is the SMILES notation for 1,6-dioxaspiro[4.5]decan-9-one?
The canonical SMILES for 1,6-dioxaspiro[4.5]decan-9-one is O=C1CCOC2(CCCO2)C1.
What is the InChIKey of 1,6-dioxaspiro[4.5]decan-9-one?
The InChIKey is MVRKHNGXDRCHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h1-6H2.
What are the key properties of 1,6-dioxaspiro[4.5]decan-9-one?
1,6-dioxaspiro[4.5]decan-9-one has a molecular weight of 156.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxaspiro[4.5]decan-9-one is sourced from PubChem (CID 11051896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).