(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane

C12H22O2 — CID 10442731

IUPAC(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@@H]1C[C@H](C)O[C@]2(CCC[C@H](C)O2)C1
InChIInChI=1S/C12H22O2/c1-9-7-11(3)14-12(8-9)6-4-5-10(2)13-12/h9-11H,4-8H2,1-3H3/t9-,10+,11+,12-/m1/s1
InChIKeyGQFXONDLLBLIDP-NOOOWODRSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds

About (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane

(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 10442731) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID10442731
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@@H]1C[C@H](C)O[C@]2(CCC[C@H](C)O2)C1
InChIInChI=1S/C12H22O2/c1-9-7-11(3)14-12(8-9)6-4-5-10(2)13-12/h9-11H,4-8H2,1-3H3/t9-,10+,11+,12-/m1/s1
InChIKeyGQFXONDLLBLIDP-NOOOWODRSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane (CID 10442731) is (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane is C[C@@H]1C[C@H](C)O[C@]2(CCC[C@H](C)O2)C1.
What is the InChIKey of (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is GQFXONDLLBLIDP-NOOOWODRSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-7-11(3)14-12(8-9)6-4-5-10(2)13-12/h9-11H,4-8H2,1-3H3/t9-,10+,11+,12-/m1/s1.
What are the key properties of (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane?
(2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 10442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).