(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one

C12H20O3 — CID 11820501

IUPAC(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
SMILESCC[C@@H]1CC(=O)C[C@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C12H20O3/c1-3-11-7-10(13)8-12(15-11)6-4-5-9(2)14-12/h9,11H,3-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKeyQENJGWRSQNWNOQ-WCQGTBRESA-N
MW212.29 g/mol
LogP2.43
Rot. Bonds1

About (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one

(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one (PubChem CID 11820501) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
PubChem CID11820501
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
SMILESCC[C@@H]1CC(=O)C[C@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C12H20O3/c1-3-11-7-10(13)8-12(15-11)6-4-5-9(2)14-12/h9,11H,3-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKeyQENJGWRSQNWNOQ-WCQGTBRESA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
CID 102119415
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
CID 10845202
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
(4R)-4-ethyloxetan-2-one
CID 14325240

Frequently Asked Questions

What is the IUPAC name of (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one?
The IUPAC name of (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one (CID 11820501) is (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one.
What is the SMILES notation for (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one?
The canonical SMILES for (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one is CC[C@@H]1CC(=O)C[C@]2(CCC[C@H](C)O2)O1.
What is the InChIKey of (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one?
The InChIKey is QENJGWRSQNWNOQ-WCQGTBRESA-N. The full InChI is InChI=1S/C12H20O3/c1-3-11-7-10(13)8-12(15-11)6-4-5-9(2)14-12/h9,11H,3-8H2,1-2H3/t9-,11+,12-/m0/s1.
What are the key properties of (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one?
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one has a molecular weight of 212.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 11820501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).