4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

C18H20 — CID 142288787

IUPAC4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C(C)CC2
InChIInChI=1S/C18H20/c1-12-4-7-15-8-6-14(3)16-9-5-13(2)11-18(16)17(15)10-12/h4-5,7,9-11,14H,6,8H2,1-3H3
InChIKeyFNOOXIZTGUOHRT-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.02
Rot. Bonds

About 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (PubChem CID 142288787) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.

Molecular Properties

Compound Name4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
PubChem CID142288787
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C(C)CC2
InChIInChI=1S/C18H20/c1-12-4-7-15-8-6-14(3)16-9-5-13(2)11-18(16)17(15)10-12/h4-5,7,9-11,14H,6,8H2,1-3H3
InChIKeyFNOOXIZTGUOHRT-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The IUPAC name of 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (CID 142288787) is 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.
What is the SMILES notation for 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The canonical SMILES for 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is Cc1ccc2c(c1)-c1cc(C)ccc1C(C)CC2.
What is the InChIKey of 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The InChIKey is FNOOXIZTGUOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-12-4-7-15-8-6-14(3)16-9-5-13(2)11-18(16)17(15)10-12/h4-5,7,9-11,14H,6,8H2,1-3H3.
What are the key properties of 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene has a molecular weight of 236.36 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is sourced from PubChem (CID 142288787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).