(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one

C10H16O3 — CID 7559497

IUPAC(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H16O3/c1-2-8-9(11)13-10(12-8)6-4-3-5-7-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyJNHCEFMERZJAIZ-MRVPVSSYSA-N
MW184.23 g/mol
LogP2.00
Rot. Bonds1

About (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one

(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 7559497) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID7559497
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H16O3/c1-2-8-9(11)13-10(12-8)6-4-3-5-7-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyJNHCEFMERZJAIZ-MRVPVSSYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane
CID 176555233
2-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.4]nonan-3-one
CID 117060691
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
CID 15402415
8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 45101837
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
3-ethyloxiran-2-one
CID 21297762
3-ethyl-1,2,4-trioxaspiro[4.5]decane
CID 15040523
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
3-propyl-1-oxaspiro[4.5]decan-2-one
CID 166447250
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
CID 147020402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one (CID 7559497) is (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one is CC[C@H]1OC2(CCCCC2)OC1=O.
What is the InChIKey of (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is JNHCEFMERZJAIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-8-9(11)13-10(12-8)6-4-3-5-7-10/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one?
(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one has a molecular weight of 184.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 7559497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).