2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one

C8H10O4 — CID 135121984

IUPAC2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one
SMILESO=C1OC2CCOC23OCCC13
InChIInChI=1S/C8H10O4/c9-7-5-1-3-10-8(5)6(12-7)2-4-11-8/h5-6H,1-4H2
InChIKeySOCUHAAADPKVKF-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.06
Rot. Bonds

About 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one

2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one (PubChem CID 135121984) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one.

Molecular Properties

Compound Name2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one
PubChem CID135121984
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one
SMILESO=C1OC2CCOC23OCCC13
InChIInChI=1S/C8H10O4/c9-7-5-1-3-10-8(5)6(12-7)2-4-11-8/h5-6H,1-4H2
InChIKeySOCUHAAADPKVKF-UHFFFAOYSA-N
XLogP0.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
CID 58925470
10-(1-Fluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
CID 70898641
(1S,4R,7S,8R)-1-methyl-2,5,9-trioxatricyclo[5.2.1.04,8]decan-6-one
CID 132572203
(Propyldisulfanyl)tetrahydro-2h-difuro[3,2-b:2',3'-c]furan-5(5ah)-one
CID 135122004
No. 2106 A
CID 139586228
(1S,2R,6R,8R,9R)-4,4,9-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 58066974
9-Propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
CID 58527733
4,4,9-Trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 70813221
(1S,2R,6R,8R)-4,4,9-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 89984317
9-Ethyl-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 91013642
[(1R,4R,5S,7R,8S)-7-heptyl-7-methoxy-9-oxo-2,6,10-trioxatricyclo[6.3.0.01,5]undecan-4-yl] acetate
CID 10473452
methyl 2-[(1S,2R,6S,8S,10R)-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecan-10-yl]acetate
CID 10563014

Frequently Asked Questions

What is the IUPAC name of 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one?
The IUPAC name of 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one (CID 135121984) is 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one.
What is the SMILES notation for 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one?
The canonical SMILES for 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one is O=C1OC2CCOC23OCCC13.
What is the InChIKey of 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one?
The InChIKey is SOCUHAAADPKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7-5-1-3-10-8(5)6(12-7)2-4-11-8/h5-6H,1-4H2.
What are the key properties of 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one?
2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one has a molecular weight of 170.16 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one is sourced from PubChem (CID 135121984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).