10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene

C18H18 — CID 145173461

IUPAC10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene
SMILESCC1=CC=CC2=Cc3ccccc3C=C(C)C12C
InChIInChI=1S/C18H18/c1-13-7-6-10-17-12-16-9-5-4-8-15(16)11-14(2)18(13,17)3/h4-12H,1-3H3
InChIKeyFRKBRSIDWSZKKT-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.01
Rot. Bonds

About 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene

10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene (PubChem CID 145173461) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene
PubChem CID145173461
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene
SMILESCC1=CC=CC2=Cc3ccccc3C=C(C)C12C
InChIInChI=1S/C18H18/c1-13-7-6-10-17-12-16-9-5-4-8-15(16)11-14(2)18(13,17)3/h4-12H,1-3H3
InChIKeyFRKBRSIDWSZKKT-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene?
The IUPAC name of 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene (CID 145173461) is 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene.
What is the SMILES notation for 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene?
The canonical SMILES for 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene is CC1=CC=CC2=Cc3ccccc3C=C(C)C12C.
What is the InChIKey of 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene?
The InChIKey is FRKBRSIDWSZKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-13-7-6-10-17-12-16-9-5-4-8-15(16)11-14(2)18(13,17)3/h4-12H,1-3H3.
What are the key properties of 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene?
10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene has a molecular weight of 234.34 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene is sourced from PubChem (CID 145173461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).