(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

C11H16O4 — CID 54567245

IUPAC(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESCC1(C)O[C@H]2[C@H]3C[C@@](C)(C[C@H]2O1)C(=O)O3
InChIInChI=1S/C11H16O4/c1-10(2)14-7-5-11(3)4-6(8(7)15-10)13-9(11)12/h6-8H,4-5H2,1-3H3/t6-,7-,8+,11+/m1/s1
InChIKeyZUSBKIUVHNDFMP-LEQIOUOKSA-N
MW212.24 g/mol
LogP1.23
Rot. Bonds

About (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (PubChem CID 54567245) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.

Molecular Properties

Compound Name(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
PubChem CID54567245
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESCC1(C)O[C@H]2[C@H]3C[C@@](C)(C[C@H]2O1)C(=O)O3
InChIInChI=1S/C11H16O4/c1-10(2)14-7-5-11(3)4-6(8(7)15-10)13-9(11)12/h6-8H,4-5H2,1-3H3/t6-,7-,8+,11+/m1/s1
InChIKeyZUSBKIUVHNDFMP-LEQIOUOKSA-N
XLogP1.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (1R,2S,6S,8R)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-8-carboxylate
CID 129438708
(3'aS,4'R,5S,7'aR)-4'-hydroxy-2,2,2',2'-tetramethylspiro[1,3-dioxolane-5,6'-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4-one
CID 46230252
(3aR,4R,7R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 14466796
[(1R,6R,8S)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-8-yl] 2-bromoacetate;(1R,3R,8R)-5,5-dimethyl-4,6,9,13-tetraoxatetracyclo[6.5.1.01,10.03,7]tetradec-10-en-12-one
CID 158830998
[(1R,2R,6R,8S)-4,4-dimethyl-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-8-yl] 2-bromoacetate;(1R,3R,7S,8R)-5,5-dimethyl-4,6,9,13-tetraoxatetracyclo[6.5.1.01,10.03,7]tetradec-10-en-12-one
CID 158830997
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167
(1S,2S,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclohexane]-9-one
CID 124857935
4,6-dihydroxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]azepin-5-one
CID 67342047
(3aR,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 102136876
(1S,2S,6R,10R,14S,15S,19R,23R,27S,28S,32R,36R)-4,4,12,12,17,17,25,25,30,30,38,38-dodecamethyl-3,5,11,13,16,18,24,26,29,31,37,39-dodecaoxa-8,21,34-triazaheptacyclo[34.3.0.02,6.010,14.015,19.023,27.028,32]nonatriacontane-7,20,33-trione
CID 101272718
(4aR,7R,7aR)-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 53362287

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The IUPAC name of (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (CID 54567245) is (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.
What is the SMILES notation for (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The canonical SMILES for (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is CC1(C)O[C@H]2[C@H]3C[C@@](C)(C[C@H]2O1)C(=O)O3.
What is the InChIKey of (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The InChIKey is ZUSBKIUVHNDFMP-LEQIOUOKSA-N. The full InChI is InChI=1S/C11H16O4/c1-10(2)14-7-5-11(3)4-6(8(7)15-10)13-9(11)12/h6-8H,4-5H2,1-3H3/t6-,7-,8+,11+/m1/s1.
What are the key properties of (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one has a molecular weight of 212.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is sourced from PubChem (CID 54567245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).