4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C11H18O5 — CID 176842545

IUPAC4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCC1OCC2OC3OC(CC)OC3C2O1
InChIInChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3
InChIKeyCYZKBYNIOKAXNB-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.01
Rot. Bonds2

About 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 176842545) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID176842545
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCC1OCC2OC3OC(CC)OC3C2O1
InChIInChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3
InChIKeyCYZKBYNIOKAXNB-UHFFFAOYSA-N
XLogP1.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
diethyl 3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-4,11-dicarboxylate
CID 156726382
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
CID 70594997
2-(methoxymethyl)-5-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-6-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;molecular hydrogen
CID 171620812
(6S,8aS)-6-ethyl-2-propyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 135040662
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
(6S)-4-bromo-2-ethyl-6-[(4R)-2-ethyl-1,3-dioxolan-4-yl]oxane
CID 135037243
(2S,4R,5S)-2-ethyl-4-methyl-1,3-dioxan-5-ol
CID 70592812
(1R,3R,7S,9R)-5-ethyl-11-phenyl-2,4,6,10,12-pentaoxatricyclo[7.4.0.03,7]tridecan-8-one
CID 70005441
(1R,2R,4R,6R,9R,10R,12R,14R,17R,18R,20R,22R,25R,26R,28R,30R,33R,34R,36R,38R,41R,42R,44R,46R,49R,50R,52R,54R,57R,58R,59R,60R,61R,62R,63R)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48,51,53,56-henicosaoxapentadecacyclo[50.4.1.14,9.112,17.120,25.128,33.136,41.144,49.02,54.06,10.014,18.022,26.030,34.038,42.046,50]trihexacontane-57,58,59,60,61,62,63-heptol
CID 11366658
(1R,2S,4R,5S,6R)-5-fluoro-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 56934248

Frequently Asked Questions

What is the IUPAC name of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 176842545) is 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is CCC1OCC2OC3OC(CC)OC3C2O1.
What is the InChIKey of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is CYZKBYNIOKAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3.
What are the key properties of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 230.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 176842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).