3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene

C10H10O4 — CID 54006719

IUPAC3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
SMILESc1cc2c3c(c1OCCO2)OCCO3
InChIInChI=1S/C10H10O4/c1-2-8-10-9(13-5-6-14-10)7(1)11-3-4-12-8/h1-2H,3-6H2
InChIKeyNRXATDNWVAGXLT-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.23
Rot. Bonds

About 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene

3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene (PubChem CID 54006719) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene.

Molecular Properties

Compound Name3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
PubChem CID54006719
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
SMILESc1cc2c3c(c1OCCO2)OCCO3
InChIInChI=1S/C10H10O4/c1-2-8-10-9(13-5-6-14-10)7(1)11-3-4-12-8/h1-2H,3-6H2
InChIKeyNRXATDNWVAGXLT-UHFFFAOYSA-N
XLogP1.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 18177399
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 178072510
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929
7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine
CID 175730676
(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117298329
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124

Frequently Asked Questions

What is the IUPAC name of 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene?
The IUPAC name of 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene (CID 54006719) is 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene.
What is the SMILES notation for 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene?
The canonical SMILES for 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene is c1cc2c3c(c1OCCO2)OCCO3.
What is the InChIKey of 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene?
The InChIKey is NRXATDNWVAGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-8-10-9(13-5-6-14-10)7(1)11-3-4-12-8/h1-2H,3-6H2.
What are the key properties of 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene?
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene has a molecular weight of 194.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene is sourced from PubChem (CID 54006719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).