(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene

C15H22O5 — CID 163472304

IUPAC(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene
SMILESCC12CC=CC=C1O/C=C\OCCOCCOCCO2
InChIInChI=1S/C15H22O5/c1-15-5-3-2-4-14(15)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h2-4,10,12H,5-9,11,13H2,1H3/b12-10-
InChIKeyBXNLZZMIDGNRBS-BENRWUELSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds

About (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene

(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene (PubChem CID 163472304) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene.

Molecular Properties

Compound Name(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene
PubChem CID163472304
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene
SMILESCC12CC=CC=C1O/C=C\OCCOCCOCCO2
InChIInChI=1S/C15H22O5/c1-15-5-3-2-4-14(15)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h2-4,10,12H,5-9,11,13H2,1H3/b12-10-
InChIKeyBXNLZZMIDGNRBS-BENRWUELSA-N
XLogP2.16
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene?
The IUPAC name of (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene (CID 163472304) is (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene.
What is the SMILES notation for (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene?
The canonical SMILES for (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene is CC12CC=CC=C1O/C=C\OCCOCCOCCO2.
What is the InChIKey of (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene?
The InChIKey is BXNLZZMIDGNRBS-BENRWUELSA-N. The full InChI is InChI=1S/C15H22O5/c1-15-5-3-2-4-14(15)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h2-4,10,12H,5-9,11,13H2,1H3/b12-10-.
What are the key properties of (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene?
(3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene has a molecular weight of 282.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-15-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,17-triene is sourced from PubChem (CID 163472304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).