(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene

C18H18O2 — CID 15416999

IUPAC(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
SMILESC1=C/Cc2ccccc2OCCOc2ccccc2C/1
InChIInChI=1S/C18H18O2/c1-2-8-16-10-4-6-12-18(16)20-14-13-19-17-11-5-3-9-15(17)7-1/h1-6,9-12H,7-8,13-14H2/b2-1+
InChIKeyPNZNXZYSTQYFBV-OWOJBTEDSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds

About (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene

(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene (PubChem CID 15416999) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene.

Molecular Properties

Compound Name(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
PubChem CID15416999
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
SMILESC1=C/Cc2ccccc2OCCOc2ccccc2C/1
InChIInChI=1S/C18H18O2/c1-2-8-16-10-4-6-12-18(16)20-14-13-19-17-11-5-3-9-15(17)7-1/h1-6,9-12H,7-8,13-14H2/b2-1+
InChIKeyPNZNXZYSTQYFBV-OWOJBTEDSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene?
The IUPAC name of (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene (CID 15416999) is (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene.
What is the SMILES notation for (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene?
The canonical SMILES for (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene is C1=C/Cc2ccccc2OCCOc2ccccc2C/1.
What is the InChIKey of (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene?
The InChIKey is PNZNXZYSTQYFBV-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-8-16-10-4-6-12-18(16)20-14-13-19-17-11-5-3-9-15(17)7-1/h1-6,9-12H,7-8,13-14H2/b2-1+.
What are the key properties of (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene?
(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene has a molecular weight of 266.34 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene is sourced from PubChem (CID 15416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).