(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane

C13H24O4 — CID 134858704

IUPAC(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESCO[C@@H]1CC(C)CC2(C[C@H](C)C[C@@H](OC)O2)O1
InChIInChI=1S/C13H24O4/c1-9-5-11(14-3)16-13(7-9)8-10(2)6-12(15-4)17-13/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+,13?/m1/s1
InChIKeyDNKPYRORTAXGCM-SZMZNBQVSA-N
MW244.33 g/mol
LogP2.52
Rot. Bonds2

About (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane

(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 134858704) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID134858704
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESCO[C@@H]1CC(C)CC2(C[C@H](C)C[C@@H](OC)O2)O1
InChIInChI=1S/C13H24O4/c1-9-5-11(14-3)16-13(7-9)8-10(2)6-12(15-4)17-13/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+,13?/m1/s1
InChIKeyDNKPYRORTAXGCM-SZMZNBQVSA-N
XLogP2.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane (CID 134858704) is (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane is CO[C@@H]1CC(C)CC2(C[C@H](C)C[C@@H](OC)O2)O1.
What is the InChIKey of (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is DNKPYRORTAXGCM-SZMZNBQVSA-N. The full InChI is InChI=1S/C13H24O4/c1-9-5-11(14-3)16-13(7-9)8-10(2)6-12(15-4)17-13/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+,13?/m1/s1.
What are the key properties of (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane?
(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 244.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134858704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).