12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene

C20H14O — CID 129156170

IUPAC12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
SMILESc1ccc2c(c1)CCc1c-2oc2c1ccc1ccccc12
InChIInChI=1S/C20H14O/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-9,11H,10,12H2
InChIKeyUSDGYBDANVRBGZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.35
Rot. Bonds

About 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene

12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene (PubChem CID 129156170) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene.

Molecular Properties

Compound Name12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
PubChem CID129156170
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
SMILESc1ccc2c(c1)CCc1c-2oc2c1ccc1ccccc12
InChIInChI=1S/C20H14O/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-9,11H,10,12H2
InChIKeyUSDGYBDANVRBGZ-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene?
The IUPAC name of 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene (CID 129156170) is 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene.
What is the SMILES notation for 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene?
The canonical SMILES for 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene is c1ccc2c(c1)CCc1c-2oc2c1ccc1ccccc12.
What is the InChIKey of 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene?
The InChIKey is USDGYBDANVRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-9,11H,10,12H2.
What are the key properties of 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene?
12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene has a molecular weight of 270.33 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene is sourced from PubChem (CID 129156170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).