1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone

C20H12O3 — CID 170226916

IUPAC1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
SMILESCC(=O)c1ccc2oc3cc4oc5ccccc5c4cc3c2c1
InChIInChI=1S/C20H12O3/c1-11(21)12-6-7-18-14(8-12)16-9-15-13-4-2-3-5-17(13)22-19(15)10-20(16)23-18/h2-10H,1H3
InChIKeyZTVUSGVMBMGJJS-UHFFFAOYSA-N
MW300.31 g/mol
LogP5.69
Rot. Bonds1

About 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone

1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone (PubChem CID 170226916) has the molecular formula C20H12O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone.

Molecular Properties

Compound Name1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
PubChem CID170226916
Molecular FormulaC20H12O3
Molecular Weight300.31 g/mol
Exact Mass300.08
IUPAC Name1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
SMILESCC(=O)c1ccc2oc3cc4oc5ccccc5c4cc3c2c1
InChIInChI=1S/C20H12O3/c1-11(21)12-6-7-18-14(8-12)16-9-15-13-4-2-3-5-17(13)22-19(15)10-20(16)23-18/h2-10H,1H3
InChIKeyZTVUSGVMBMGJJS-UHFFFAOYSA-N
XLogP5.69
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.31
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone with MolForge

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Related Compounds

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methyl dibenzofuran-2-carboxylate
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1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-propyldibenzofuran-2-carboxamide
CID 19048225
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411
dibenzofuran-3-carboxylate
CID 51860493
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone?
The IUPAC name of 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone (CID 170226916) is 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone.
What is the SMILES notation for 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone?
The canonical SMILES for 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone is CC(=O)c1ccc2oc3cc4oc5ccccc5c4cc3c2c1.
What is the InChIKey of 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone?
The InChIKey is ZTVUSGVMBMGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O3/c1-11(21)12-6-7-18-14(8-12)16-9-15-13-4-2-3-5-17(13)22-19(15)10-20(16)23-18/h2-10H,1H3.
What are the key properties of 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone?
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone has a molecular weight of 300.31 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone is sourced from PubChem (CID 170226916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).