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

C21H16O3 — CID 170228909

IUPAC7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESCCOCc1ccc2c(c1)oc1cc3oc4ccccc4c3cc12
InChIInChI=1S/C21H16O3/c1-2-22-12-13-7-8-15-17-10-16-14-5-3-4-6-18(14)23-20(16)11-21(17)24-19(15)9-13/h3-11H,2,12H2,1H3
InChIKeyVEBMUOBNMDDCFH-UHFFFAOYSA-N
MW316.36 g/mol
LogP6.02
Rot. Bonds3

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

7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 170228909) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.

Molecular Properties

Compound Name7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
PubChem CID170228909
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESCCOCc1ccc2c(c1)oc1cc3oc4ccccc4c3cc12
InChIInChI=1S/C21H16O3/c1-2-22-12-13-7-8-15-17-10-16-14-5-3-4-6-18(14)23-20(16)11-21(17)24-19(15)9-13/h3-11H,2,12H2,1H3
InChIKeyVEBMUOBNMDDCFH-UHFFFAOYSA-N
XLogP6.02
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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CID 58510747
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
1-(dibenzofuran-3-ylmethyl)-2-methylhydrazine;hydrochloride
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1-dibenzofuran-2-ylpropan-2-amine
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CID 118149901
dibenzofuran;ethanol
CID 174821059
2-(ethoxymethyl)naphthalene
CID 11063138
3-(dibenzofuran-3-ylmethoxy)-1-azabicyclo[2.2.2]octane
CID 139688662
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
10,14,16-trioxahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
CID 176865658

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 170228909) is 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is CCOCc1ccc2c(c1)oc1cc3oc4ccccc4c3cc12.
What is the InChIKey of 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is VEBMUOBNMDDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-2-22-12-13-7-8-15-17-10-16-14-5-3-4-6-18(14)23-20(16)11-21(17)24-19(15)9-13/h3-11H,2,12H2,1H3.
What are the key properties of 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 316.36 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 170228909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).