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

C12H22O2 — CID 10888892

IUPAC(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@H]1CCC[C@@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyICQGEBLJYVWKBA-SDDRHHMPSA-N
MW198.31 g/mol
LogP3.25
Rot. Bonds1

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

(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 10888892) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
PubChem CID10888892
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@H]1CCC[C@@]2(CCC[C@H](C)O2)O1
InChIInChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyICQGEBLJYVWKBA-SDDRHHMPSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
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
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one
CID 121475555

Frequently Asked Questions

What is the IUPAC name of (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane (CID 10888892) is (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane is CC[C@H]1CCC[C@@]2(CCC[C@H](C)O2)O1.
What is the InChIKey of (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is ICQGEBLJYVWKBA-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m0/s1.
What are the key properties of (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane?
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 10888892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).