15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene

C14H10O2 — CID 3532222

IUPAC15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene
SMILESC1=CC2OC1c1cc3c(cc12)C1C=CC3O1
InChIInChI=1S/C14H10O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h1-6,11-14H
InChIKeyKGWFDDIOZVPOTL-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.05
Rot. Bonds

About 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene

15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene (PubChem CID 3532222) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene.

Molecular Properties

Compound Name15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene
PubChem CID3532222
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene
SMILESC1=CC2OC1c1cc3c(cc12)C1C=CC3O1
InChIInChI=1S/C14H10O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h1-6,11-14H
InChIKeyKGWFDDIOZVPOTL-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene?
The IUPAC name of 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene (CID 3532222) is 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene.
What is the SMILES notation for 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene?
The canonical SMILES for 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene is C1=CC2OC1c1cc3c(cc12)C1C=CC3O1.
What is the InChIKey of 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene?
The InChIKey is KGWFDDIOZVPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-2-12-8-6-10-9(5-7(8)11(1)15-12)13-3-4-14(10)16-13/h1-6,11-14H.
What are the key properties of 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene?
15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene has a molecular weight of 210.23 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene is sourced from PubChem (CID 3532222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).