(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one

C14H22O5 — CID 101093481

IUPAC(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-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@H](C)[C@@H]13
InChIInChI=1S/C14H22O5/c1-8-10-9(17-7-16-5)6-14(10)11(15)18-12(2,3)19-13(8,14)4/h8-10H,6-7H2,1-5H3/t8-,9+,10+,13-,14-/m1/s1
InChIKeyPSYJZGPWWWWAOU-XNANLLIESA-N
MW270.32 g/mol
LogP1.70
Rot. Bonds3

About (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one

(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one (PubChem CID 101093481) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one.

Molecular Properties

Compound Name(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
PubChem CID101093481
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-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@H](C)[C@@H]13
InChIInChI=1S/C14H22O5/c1-8-10-9(17-7-16-5)6-14(10)11(15)18-12(2,3)19-13(8,14)4/h8-10H,6-7H2,1-5H3/t8-,9+,10+,13-,14-/m1/s1
InChIKeyPSYJZGPWWWWAOU-XNANLLIESA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R,4S,6S)-3-(methoxymethoxy)-4,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
CID 10778450
(3aS,4S,6aR)-4-(methoxymethoxy)-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 102217240
(3aR,4R,7R,7aR)-4-(hydroxymethyl)-7-(methoxymethoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
CID 11054391
(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
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
(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde
CID 71770386
[(5S,7R,8R)-8-(methoxymethoxy)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]decan-7-yl] acetate
CID 42643567
3-(methoxymethoxy)-4-methylazetidin-2-one
CID 131993362
(1S,2S,6R)-2-(methoxymethoxy)-7,7-dimethylbicyclo[4.1.0]heptan-3-one
CID 95565732
(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
5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
CID 560606
(1R,3R,5R,6S,9S,13S,15S,17R)-13-hydroxy-3,9-bis(methoxymethoxy)-5,15,19,19-tetramethyl-18,20-dioxapentacyclo[11.8.0.01,17.02,10.05,9]henicosane-6-carbaldehyde;(1R,3R,5R,6S,9S,13S,15S,17R)-6-[(E)-hydroxyiminomethyl]-3,9-bis(methoxymethoxy)-5,15,19,19-tetramethyl-18,20-dioxapentacyclo[11.8.0.01,17.02,10.05,9]henicosan-13-ol
CID 172987611

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The IUPAC name of (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) is (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one.
What is the SMILES notation for (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The canonical SMILES for (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-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@H](C)[C@@H]13.
What is the InChIKey of (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
The InChIKey is PSYJZGPWWWWAOU-XNANLLIESA-N. The full InChI is InChI=1S/C14H22O5/c1-8-10-9(17-7-16-5)6-14(10)11(15)18-12(2,3)19-13(8,14)4/h8-10H,6-7H2,1-5H3/t8-,9+,10+,13-,14-/m1/s1.
What are the key properties of (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one?
(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one has a molecular weight of 270.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one is sourced from PubChem (CID 101093481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).