(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one

C14H22O5 — CID 10778450

IUPAC(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
SMILESCOCO[C@@H]1C[C@]23C(=O)OC(C)(C)O[C@@]2(C)C[C@]13C
InChIInChI=1S/C14H22O5/c1-11(2)18-10(15)14-6-9(17-8-16-5)12(14,3)7-13(14,4)19-11/h9H,6-8H2,1-5H3/t9-,12-,13+,14-/m1/s1
InChIKeyWMHINIHIULJGRE-WBMYTEFPSA-N
MW270.32 g/mol
LogP1.84
Rot. Bonds3

About (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one

(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one (PubChem CID 10778450) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one.

Molecular Properties

Compound Name(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
PubChem CID10778450
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
SMILESCOCO[C@@H]1C[C@]23C(=O)OC(C)(C)O[C@@]2(C)C[C@]13C
InChIInChI=1S/C14H22O5/c1-11(2)18-10(15)14-6-9(17-8-16-5)12(14,3)7-13(14,4)19-11/h9H,6-8H2,1-5H3/t9-,12-,13+,14-/m1/s1
InChIKeyWMHINIHIULJGRE-WBMYTEFPSA-N
XLogP1.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
CID 101093481
(3aR,4R,7R,7aR)-4-(hydroxymethyl)-7-(methoxymethoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
CID 11054391
[(1R,2S,6S,9R)-2-(methoxymethoxy)-9-methyl-8-oxo-10-tricyclo[7.2.1.01,6]dodecanyl] methanesulfonate
CID 10360271
[(5S,7R,8R)-8-(methoxymethoxy)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]decan-7-yl] acetate
CID 42643567
(3aS,4S,6aR)-4-(methoxymethoxy)-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 102217240
6-[tert-butyl(dimethyl)silyl]oxy-9,11-bis(methoxymethoxy)-3,3-dimethyl-2,4-dioxatricyclo[6.2.1.01,5]undecan-7-one
CID 146166965
(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
CID 130917775
(1S,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-7,7-bis(hydroxymethyl)-2-(methoxymethoxy)-4-methylbicyclo[3.2.0]heptan-6-one
CID 59053156
(8R,9R,10R,13S,14S)-17-(methoxymethoxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 70117500
(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7-trihydroxy-11-(methoxymethoxy)-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
CID 57342062
17-(methoxymethoxy)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 14418317
(1S,2S,6R)-2-(methoxymethoxy)-7,7-dimethylbicyclo[4.1.0]heptan-3-one
CID 95565732

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The IUPAC name of (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one (CID 10778450) is (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one.
What is the SMILES notation for (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The canonical SMILES for (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one is COCO[C@@H]1C[C@]23C(=O)OC(C)(C)O[C@@]2(C)C[C@]13C.
What is the InChIKey of (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The InChIKey is WMHINIHIULJGRE-WBMYTEFPSA-N. The full InChI is InChI=1S/C14H22O5/c1-11(2)18-10(15)14-6-9(17-8-16-5)12(14,3)7-13(14,4)19-11/h9H,6-8H2,1-5H3/t9-,12-,13+,14-/m1/s1.
What are the key properties of (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one has a molecular weight of 270.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one is sourced from PubChem (CID 10778450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).