17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene

C20H12O — CID 86654524

IUPAC17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene
SMILESc1ccc2c(c1)cc1c2ccc2ccc3occcc3c21
InChIInChI=1S/C20H12O/c1-2-5-15-14(4-1)12-18-16(15)9-7-13-8-10-19-17(20(13)18)6-3-11-21-19/h1-12H
InChIKeyUEOGLANRPZAEAC-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.89
Rot. Bonds

About 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene

17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene (PubChem CID 86654524) has the molecular formula C20H12O and a molecular weight of 268.31 g/mol. Its IUPAC name is 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene.

Molecular Properties

Compound Name17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene
PubChem CID86654524
Molecular FormulaC20H12O
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene
SMILESc1ccc2c(c1)cc1c2ccc2ccc3occcc3c21
InChIInChI=1S/C20H12O/c1-2-5-15-14(4-1)12-18-16(15)9-7-13-8-10-19-17(20(13)18)6-3-11-21-19/h1-12H
InChIKeyUEOGLANRPZAEAC-UHFFFAOYSA-N
XLogP5.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene?
The IUPAC name of 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene (CID 86654524) is 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene.
What is the SMILES notation for 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene?
The canonical SMILES for 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene is c1ccc2c(c1)cc1c2ccc2ccc3occcc3c21.
What is the InChIKey of 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene?
The InChIKey is UEOGLANRPZAEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O/c1-2-5-15-14(4-1)12-18-16(15)9-7-13-8-10-19-17(20(13)18)6-3-11-21-19/h1-12H.
What are the key properties of 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene?
17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene has a molecular weight of 268.31 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,13,15,18,20-decaene is sourced from PubChem (CID 86654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).