(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one

C11H16O4 — CID 10921805

IUPAC(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
SMILESO=C1C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C11H16O4/c12-11-6-10-9(15-11)4-3-7-8(14-10)2-1-5-13-7/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1
InChIKeyDCWMDMZBYGDIDX-XFWSIPNHSA-N
MW212.24 g/mol
LogP1.03
Rot. Bonds

About (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one

(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one (PubChem CID 10921805) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one.

Molecular Properties

Compound Name(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
PubChem CID10921805
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
SMILESO=C1C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C11H16O4/c12-11-6-10-9(15-11)4-3-7-8(14-10)2-1-5-13-7/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1
InChIKeyDCWMDMZBYGDIDX-XFWSIPNHSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one with MolForge

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Related Compounds

8a-Methoxy-3,3a,5,6,7,8-hexahydrofuro[3,2-b]oxepin-2-one
CID 11769237
(3aS,8aR)-3a,5,6,7,8,8a-hexahydro-3H-furo[3,2-b]oxepin-2-one
CID 11263630
Ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
CID 14101474
methyl 2-[(1S,3S,5S)-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-5-yl]acetate
CID 101055956
ethyl 2-[(1S,4R,5S)-1-hexyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl]acetate
CID 134928373
(7,8-Diacetyloxy-2-methyl-10-oxooxecan-4-yl) acetate
CID 57086572
4,5,8-Trimethoxy-10-methyloxecan-2-one
CID 57206343
Ethyl 2-[3,5-dibutoxy-6-(butoxymethyl)oxan-2-yl]acetate
CID 126491531
(2,2,7-Trimethyl-5-oxo-3a,4,7,8,9,10,11,11a-octahydro-[1,3]dioxolo[4,5-d]oxecin-9-yl) acetate
CID 9904413
(3aR,5S,8aR)-5-methyl-3a,5,6,7,8,8a-hexahydro-3H-furo[3,2-b]oxepin-2-one
CID 10511353
(1R,3S,8R,11S,13R,17R)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one
CID 10869748
(1S,3R,7S,10R)-7-methyl-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 10944142

Frequently Asked Questions

What is the IUPAC name of (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one?
The IUPAC name of (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one (CID 10921805) is (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one.
What is the SMILES notation for (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one?
The canonical SMILES for (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one is O=C1C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1.
What is the InChIKey of (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one?
The InChIKey is DCWMDMZBYGDIDX-XFWSIPNHSA-N. The full InChI is InChI=1S/C11H16O4/c12-11-6-10-9(15-11)4-3-7-8(14-10)2-1-5-13-7/h7-10H,1-6H2/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one?
(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one has a molecular weight of 212.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one is sourced from PubChem (CID 10921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).