2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene

C25H34O — CID 153343499

IUPAC2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
SMILESc1ccc2c(c1)CCCCCCCc1ccccc1OCCCCCC2
InChIInChI=1S/C25H34O/c1-2-6-14-22-16-9-10-17-23(22)15-7-4-5-13-21-26-25-20-12-11-19-24(25)18-8-3-1/h9-12,16-17,19-20H,1-8,13-15,18,21H2
InChIKeyZHLMEOZWZFYFKV-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.92
Rot. Bonds

About 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene

2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene (PubChem CID 153343499) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene.

Molecular Properties

Compound Name2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
PubChem CID153343499
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
SMILESc1ccc2c(c1)CCCCCCCc1ccccc1OCCCCCC2
InChIInChI=1S/C25H34O/c1-2-6-14-22-16-9-10-17-23(22)15-7-4-5-13-21-26-25-20-12-11-19-24(25)18-8-3-1/h9-12,16-17,19-20H,1-8,13-15,18,21H2
InChIKeyZHLMEOZWZFYFKV-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene?
The IUPAC name of 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene (CID 153343499) is 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene.
What is the SMILES notation for 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene?
The canonical SMILES for 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene is c1ccc2c(c1)CCCCCCCc1ccccc1OCCCCCC2.
What is the InChIKey of 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene?
The InChIKey is ZHLMEOZWZFYFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-2-6-14-22-16-9-10-17-23(22)15-7-4-5-13-21-26-25-20-12-11-19-24(25)18-8-3-1/h9-12,16-17,19-20H,1-8,13-15,18,21H2.
What are the key properties of 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene?
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene has a molecular weight of 350.55 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene is sourced from PubChem (CID 153343499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).