9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene

C15H14O2 — CID 20671322

IUPAC9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1OCCO2
InChIInChI=1S/C15H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17-10-9-16-14/h1-8H,9-11H2
InChIKeyHUCSZFYCZJYSTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.05
Rot. Bonds

About 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene

9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene (PubChem CID 20671322) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene.

Molecular Properties

Compound Name9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
PubChem CID20671322
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1OCCO2
InChIInChI=1S/C15H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17-10-9-16-14/h1-8H,9-11H2
InChIKeyHUCSZFYCZJYSTC-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10087254
(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
CID 15416999
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CID 91353851
9H-xanthene
CID 7107
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CID 132552414
3,6,9,16,19,22,36,39,42,45,48-undecaoxaoctacyclo[32.25.1.124,50.02,56.010,15.023,28.030,35.049,54]henhexaconta-1(59),2(56),10,12,14,23,25,27,30,32,34,49(54),50,52,57-pentadecaene
CID 132552412
2,3-dihydro-1-benzofuran;ethane
CID 54441538
2,5-dioxa-13,16,19-triazatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
CID 15810165
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562

Frequently Asked Questions

What is the IUPAC name of 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene?
The IUPAC name of 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene (CID 20671322) is 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene.
What is the SMILES notation for 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene?
The canonical SMILES for 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene is c1ccc2c(c1)Cc1ccccc1OCCO2.
What is the InChIKey of 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene?
The InChIKey is HUCSZFYCZJYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17-10-9-16-14/h1-8H,9-11H2.
What are the key properties of 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene?
9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene has a molecular weight of 226.28 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dioxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene is sourced from PubChem (CID 20671322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).