13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene

C14H22O4 — CID 58883946

IUPAC13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene
SMILESCC1=C2OCCOCCOCCOC2=C(C)CC1
InChIInChI=1S/C14H22O4/c1-11-3-4-12(2)14-13(11)17-9-7-15-5-6-16-8-10-18-14/h3-10H2,1-2H3
InChIKeyZBCHCIZGXJPEMZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.41
Rot. Bonds

About 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene

13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene (PubChem CID 58883946) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene.

Molecular Properties

Compound Name13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene
PubChem CID58883946
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene
SMILESCC1=C2OCCOCCOCCOC2=C(C)CC1
InChIInChI=1S/C14H22O4/c1-11-3-4-12(2)14-13(11)17-9-7-15-5-6-16-8-10-18-14/h3-10H2,1-2H3
InChIKeyZBCHCIZGXJPEMZ-UHFFFAOYSA-N
XLogP2.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene?
The IUPAC name of 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene (CID 58883946) is 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene.
What is the SMILES notation for 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene?
The canonical SMILES for 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene is CC1=C2OCCOCCOCCOC2=C(C)CC1.
What is the InChIKey of 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene?
The InChIKey is ZBCHCIZGXJPEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-11-3-4-12(2)14-13(11)17-9-7-15-5-6-16-8-10-18-14/h3-10H2,1-2H3.
What are the key properties of 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene?
13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene has a molecular weight of 254.33 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene is sourced from PubChem (CID 58883946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).