(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one

C11H18O4 — CID 102396286

IUPAC(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one
SMILESCOC[C@@H]1CCC[C@]2(CC(=O)CCO2)O1
InChIInChI=1S/C11H18O4/c1-13-8-10-3-2-5-11(15-10)7-9(12)4-6-14-11/h10H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeySNGXTHOATULCFF-WDEREUQCSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds2

About (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one

(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one (PubChem CID 102396286) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one
PubChem CID102396286
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one
SMILESCOC[C@@H]1CCC[C@]2(CC(=O)CCO2)O1
InChIInChI=1S/C11H18O4/c1-13-8-10-3-2-5-11(15-10)7-9(12)4-6-14-11/h10H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeySNGXTHOATULCFF-WDEREUQCSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dinemasone A
CID 25141254
1,7-Dioxaspiro[5.5]undecan-4-one
CID 11217490
Methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 14735319
(2R,6S,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 134936867
(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 134986307
(2R,6S,8R)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-10-one
CID 10081909
4-(Oxan-2-yloxy)decan-2-one
CID 10956192
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820499
(2R,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820500
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
(3S,6S,9S)-3-methoxy-9-methyl-1,7-dioxaspiro[5.5]undecan-10-one
CID 102396282
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one?
The IUPAC name of (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one (CID 102396286) is (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one.
What is the SMILES notation for (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one?
The canonical SMILES for (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one is COC[C@@H]1CCC[C@]2(CC(=O)CCO2)O1.
What is the InChIKey of (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one?
The InChIKey is SNGXTHOATULCFF-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-8-10-3-2-5-11(15-10)7-9(12)4-6-14-11/h10H,2-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one?
(2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one has a molecular weight of 214.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(methoxymethyl)-1,7-dioxaspiro[5.5]undecan-10-one is sourced from PubChem (CID 102396286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).