15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C18H14 — CID 4118963

IUPAC15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESC=C1C(=C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H14/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H2
InChIKeyADTSKKGHPHDXSC-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.39
Rot. Bonds

About 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 4118963) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID4118963
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESC=C1C(=C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H14/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H2
InChIKeyADTSKKGHPHDXSC-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 4118963) is 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is C=C1C(=C)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is ADTSKKGHPHDXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H2.
What are the key properties of 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 230.31 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 4118963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).