2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene

C20H22 — CID 91204984

IUPAC2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene
SMILESCC=C1C2=C(C=CC=CC2(C)C)CCc2ccccc21
InChIInChI=1S/C20H22/c1-4-17-18-11-6-5-9-15(18)12-13-16-10-7-8-14-20(2,3)19(16)17/h4-11,14H,12-13H2,1-3H3
InChIKeyLJVONQLJVJTNBJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.48
Rot. Bonds

About 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene

2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene (PubChem CID 91204984) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene.

Molecular Properties

Compound Name2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene
PubChem CID91204984
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene
SMILESCC=C1C2=C(C=CC=CC2(C)C)CCc2ccccc21
InChIInChI=1S/C20H22/c1-4-17-18-11-6-5-9-15(18)12-13-16-10-7-8-14-20(2,3)19(16)17/h4-11,14H,12-13H2,1-3H3
InChIKeyLJVONQLJVJTNBJ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene?
The IUPAC name of 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene (CID 91204984) is 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene.
What is the SMILES notation for 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene?
The canonical SMILES for 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene is CC=C1C2=C(C=CC=CC2(C)C)CCc2ccccc21.
What is the InChIKey of 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene?
The InChIKey is LJVONQLJVJTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-17-18-11-6-5-9-15(18)12-13-16-10-7-8-14-20(2,3)19(16)17/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene?
2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene has a molecular weight of 262.40 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene is sourced from PubChem (CID 91204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).