13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C21H26O — CID 59762662

IUPAC13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCCOCc1cc2c(C)cc1CCc1ccc(cc1C)CC2
InChIInChI=1S/C21H26O/c1-4-22-14-21-13-19-8-6-17-5-7-18(15(2)11-17)9-10-20(21)12-16(19)3/h5,7,11-13H,4,6,8-10,14H2,1-3H3
InChIKeyJSHLDEQBVBYFAE-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.72
Rot. Bonds3

About 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 59762662) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID59762662
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCCOCc1cc2c(C)cc1CCc1ccc(cc1C)CC2
InChIInChI=1S/C21H26O/c1-4-22-14-21-13-19-8-6-17-5-7-18(15(2)11-17)9-10-20(21)12-16(19)3/h5,7,11-13H,4,6,8-10,14H2,1-3H3
InChIKeyJSHLDEQBVBYFAE-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 59762662) is 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is CCOCc1cc2c(C)cc1CCc1ccc(cc1C)CC2.
What is the InChIKey of 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is JSHLDEQBVBYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-4-22-14-21-13-19-8-6-17-5-7-18(15(2)11-17)9-10-20(21)12-16(19)3/h5,7,11-13H,4,6,8-10,14H2,1-3H3.
What are the key properties of 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 294.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 59762662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).