6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane

C16H22O6 — CID 15237962

IUPAC6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
SMILESC=CCOC1C2OC3OC1C(OCC=C)C(O3)C2OCC=C
InChIInChI=1S/C16H22O6/c1-4-7-17-10-13-11(18-8-5-2)15-12(19-9-6-3)14(10)21-16(20-13)22-15/h4-6,10-16H,1-3,7-9H2
InChIKeyXXWFEJPMUUIQSV-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.18
Rot. Bonds9

About 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane

6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane (PubChem CID 15237962) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
PubChem CID15237962
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
SMILESC=CCOC1C2OC3OC1C(OCC=C)C(O3)C2OCC=C
InChIInChI=1S/C16H22O6/c1-4-7-17-10-13-11(18-8-5-2)15-12(19-9-6-3)14(10)21-16(20-13)22-15/h4-6,10-16H,1-3,7-9H2
InChIKeyXXWFEJPMUUIQSV-UHFFFAOYSA-N
XLogP1.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
CID 10869017
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
CID 70631256
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-10,15,20,25,30-pentakis(hydroxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(prop-2-enoxy)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methanol
CID 170897831
methyl (2S,3S,4S,5R)-6-hydroxy-3,4,5-tris(prop-2-enoxy)oxane-2-carboxylate
CID 146018814
3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
CID 15666729
(1S,2S,3S,4S,5R,6R)-5,6-bis(prop-2-enoxy)cyclohexane-1,2,3,4-tetrol
CID 23248808
(2R,5S)-2,5-bis(prop-2-enoxy)-2,5-dihydrofuran
CID 22215343
(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
CID 14824471
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67036661
CID 57408736
CID 57408736
(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 72700333

Frequently Asked Questions

What is the IUPAC name of 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The IUPAC name of 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane (CID 15237962) is 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane is C=CCOC1C2OC3OC1C(OCC=C)C(O3)C2OCC=C.
What is the InChIKey of 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The InChIKey is XXWFEJPMUUIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-4-7-17-10-13-11(18-8-5-2)15-12(19-9-6-3)14(10)21-16(20-13)22-15/h4-6,10-16H,1-3,7-9H2.
What are the key properties of 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane?
6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane has a molecular weight of 310.35 g/mol, XLogP of 1.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-tris(prop-2-enoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 15237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).