6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene

C18H20 — CID 4610239

IUPAC6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1CC2
InChIInChI=1S/C18H20/c1-13-3-5-15-7-8-16-6-4-14(2)12-18(16)10-9-17(15)11-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKABDJPCQYZLATR-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.19
Rot. Bonds

About 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene

6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene (PubChem CID 4610239) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene.

Molecular Properties

Compound Name6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
PubChem CID4610239
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1CC2
InChIInChI=1S/C18H20/c1-13-3-5-15-7-8-16-6-4-14(2)12-18(16)10-9-17(15)11-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKABDJPCQYZLATR-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The IUPAC name of 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene (CID 4610239) is 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene.
What is the SMILES notation for 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The canonical SMILES for 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene is Cc1ccc2c(c1)CCc1cc(C)ccc1CC2.
What is the InChIKey of 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The InChIKey is KABDJPCQYZLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-13-3-5-15-7-8-16-6-4-14(2)12-18(16)10-9-17(15)11-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene has a molecular weight of 236.36 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene is sourced from PubChem (CID 4610239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).