5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione

C13H18O4 — CID 170152284

IUPAC5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione
SMILESCC1(C)C(=O)OC2C1CC1OC(=O)C(C)(C)C12
InChIInChI=1S/C13H18O4/c1-12(2)6-5-7-8(9(6)17-10(12)14)13(3,4)11(15)16-7/h6-9H,5H2,1-4H3
InChIKeySPMSEASFKXQHDZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.53
Rot. Bonds

About 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione

5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione (PubChem CID 170152284) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione.

Molecular Properties

Compound Name5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione
PubChem CID170152284
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione
SMILESCC1(C)C(=O)OC2C1CC1OC(=O)C(C)(C)C12
InChIInChI=1S/C13H18O4/c1-12(2)6-5-7-8(9(6)17-10(12)14)13(3,4)11(15)16-7/h6-9H,5H2,1-4H3
InChIKeySPMSEASFKXQHDZ-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione with MolForge

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Related Compounds

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CID 98512064
6-methyl-9-sulfanyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 146254697
(3aR,6R,7aR)-3-chloro-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 126687330
(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 54567245
(1R,2R,3R,4S,7S,10S,11S,12R,13S,14R,15S,18R,21S,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911582
(1R,2S,3S,4S,7S,10R,11S,12R,13S,14R,15S,18R,21R,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911580
(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one
CID 10487150
(2S)-3,3-dimethyl-4-oxooxetane-2-carboxylic acid
CID 95003089
(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one
CID 163800814
(1R,4R,5R)-4-cyclopropyl-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 139260403
2-amino-2-methyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
CID 147193848
(2R,13S)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-5-ene-3,11-dione
CID 146030024

Frequently Asked Questions

What is the IUPAC name of 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione?
The IUPAC name of 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione (CID 170152284) is 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione.
What is the SMILES notation for 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione?
The canonical SMILES for 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione is CC1(C)C(=O)OC2C1CC1OC(=O)C(C)(C)C12.
What is the InChIKey of 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione?
The InChIKey is SPMSEASFKXQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-12(2)6-5-7-8(9(6)17-10(12)14)13(3,4)11(15)16-7/h6-9H,5H2,1-4H3.
What are the key properties of 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione?
5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione has a molecular weight of 238.28 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,11,11-tetramethyl-3,9-dioxatricyclo[6.3.0.02,6]undecane-4,10-dione is sourced from PubChem (CID 170152284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).