9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

C11H16O5 — CID 91013642

IUPAC9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESCCC1C(=O)OC2C3OC(C)(C)OC3OC12
InChIInChI=1S/C11H16O5/c1-4-5-6-7(13-9(5)12)8-10(14-6)16-11(2,3)15-8/h5-8,10H,4H2,1-3H3
InChIKeyUKYQWFGLZNIUIB-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.81
Rot. Bonds1

About 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (PubChem CID 91013642) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.

Molecular Properties

Compound Name9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
PubChem CID91013642
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESCCC1C(=O)OC2C3OC(C)(C)OC3OC12
InChIInChI=1S/C11H16O5/c1-4-5-6-7(13-9(5)12)8-10(14-6)16-11(2,3)15-8/h5-8,10H,4H2,1-3H3
InChIKeyUKYQWFGLZNIUIB-UHFFFAOYSA-N
XLogP0.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one with MolForge

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Related Compounds

5-Deoxy-1,2-O-isopropylidene-alpha-D-xylo-hexofuranuronic acid gamma lactone
CID 10375517
1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-alpha-D-allofuranose
CID 22806636
(1R,4R,5S,7R,8S)-4,7-dihydroxy-7-propyl-2,6,10-trioxatricyclo[6.3.0.01,5]undecan-9-one
CID 44471018
10-(1-Fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
CID 70898641
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(4,9-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-4-yl)butanoate
CID 88874123
1,1,1,3,3,3-Hexafluoropropan-2-yl 9-methyl-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate
CID 88992084
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-(4,9-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-4-yl)butanedioate
CID 89023614
9-(1-Hydroperoxy-2,2-dimethylbutyl)-4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 129087827
1,1,1,3,3,3-hexafluoropropan-2-yl (1S,2R,6R,8R)-9-methyl-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate
CID 139317951
(1S,2R,6R,8R,9R)-4,4-dimethyl-9-prop-2-enyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 11379458
1-[(2R,3R,5R)-5-[(3aR,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyloxolan-3-yl]ethanone
CID 13831275
[(1S,2R,6R,8S,9R)-4,4-dimethyl-11-oxo-3,5,7-trioxatricyclo[6.3.0.02,6]undecan-9-yl] 2,2-dimethylpropanoate
CID 24814467

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The IUPAC name of 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (CID 91013642) is 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.
What is the SMILES notation for 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The canonical SMILES for 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is CCC1C(=O)OC2C3OC(C)(C)OC3OC12.
What is the InChIKey of 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The InChIKey is UKYQWFGLZNIUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-4-5-6-7(13-9(5)12)8-10(14-6)16-11(2,3)15-8/h5-8,10H,4H2,1-3H3.
What are the key properties of 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one has a molecular weight of 228.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is sourced from PubChem (CID 91013642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).