(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione

C11H16O4 — CID 15402415

IUPAC(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
SMILESCC[C@@H]1CC[C@]2(CCCC(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-2-8-5-7-11(15-10(8)13)6-3-4-9(12)14-11/h8H,2-7H2,1H3/t8-,11+/m1/s1
InChIKeyOIIXVPYSKRUANL-KCJUWKMLSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds1

About (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione

(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione (PubChem CID 15402415) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione.

Molecular Properties

Compound Name(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
PubChem CID15402415
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
SMILESCC[C@@H]1CC[C@]2(CCCC(=O)O2)OC1=O
InChIInChI=1S/C11H16O4/c1-2-8-5-7-11(15-10(8)13)6-3-4-9(12)14-11/h8H,2-7H2,1H3/t8-,11+/m1/s1
InChIKeyOIIXVPYSKRUANL-KCJUWKMLSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559497
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987
6,6-dibutyloxan-2-one
CID 10822452
3-ethyloxepan-2-one
CID 22116783
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 45101837
2-ethyl-1,3-dioxocane-4,8-dione
CID 154262703
(3R,6R)-3,6-diethyloxan-2-one
CID 129383113
2-ethylcyclobutan-1-one
CID 534566
(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
CID 102329754

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione?
The IUPAC name of (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione (CID 15402415) is (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione.
What is the SMILES notation for (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione?
The canonical SMILES for (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione is CC[C@@H]1CC[C@]2(CCCC(=O)O2)OC1=O.
What is the InChIKey of (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione?
The InChIKey is OIIXVPYSKRUANL-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-8-5-7-11(15-10(8)13)6-3-4-9(12)14-11/h8H,2-7H2,1H3/t8-,11+/m1/s1.
What are the key properties of (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione?
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione has a molecular weight of 212.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione is sourced from PubChem (CID 15402415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).