(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane

C11H20O2 — CID 13364433

IUPAC(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
SMILESCC[C@@H]1CCC[C@]2(CC[C@@H](C)O2)O1
InChIInChI=1S/C11H20O2/c1-3-10-5-4-7-11(13-10)8-6-9(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyCIYDGNLCXUMCGG-GMTAPVOTSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds1

About (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane

(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane (PubChem CID 13364433) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
PubChem CID13364433
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
SMILESCC[C@@H]1CCC[C@]2(CC[C@@H](C)O2)O1
InChIInChI=1S/C11H20O2/c1-3-10-5-4-7-11(13-10)8-6-9(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyCIYDGNLCXUMCGG-GMTAPVOTSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
CID 10845202
1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one
CID 121475555
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 71504682
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042

Frequently Asked Questions

What is the IUPAC name of (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane (CID 13364433) is (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane is CC[C@@H]1CCC[C@]2(CC[C@@H](C)O2)O1.
What is the InChIKey of (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is CIYDGNLCXUMCGG-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10-5-4-7-11(13-10)8-6-9(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane?
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane has a molecular weight of 184.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 13364433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).