tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene

C19H16 — CID 76601679

IUPACtetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene
SMILESC1=CC=C2C3=C(C=C1)CCCC=C3c1ccccc12
InChIInChI=1S/C19H16/c1-2-8-14-9-4-5-13-18-16-11-7-6-10-15(16)17(12-3-1)19(14)18/h1-3,6-8,10-13H,4-5,9H2
InChIKeyIQCDFFJXUDIHFL-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.07
Rot. Bonds

About tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene

tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene (PubChem CID 76601679) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene.

Molecular Properties

Compound Nametetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene
PubChem CID76601679
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Nametetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene
SMILESC1=CC=C2C3=C(C=C1)CCCC=C3c1ccccc12
InChIInChI=1S/C19H16/c1-2-8-14-9-4-5-13-18-16-11-7-6-10-15(16)17(12-3-1)19(14)18/h1-3,6-8,10-13H,4-5,9H2
InChIKeyIQCDFFJXUDIHFL-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene with MolForge

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Related Compounds

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CID 134897862
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CID 10857019
2-(cyclopenten-1-yl)benzenethiol
CID 21222530
heptacyclo[16.6.6.62,9.03,8.019,24.025,30.031,36]hexatriaconta-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-heptadecaene
CID 5255336
2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
CID 130517989
9-ethyl-1H-fluorene;methane
CID 142105135
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene
CID 91348685
[2-(Cyclopent-1-en-1-yl)phenyl](dimethyl)silyl
CID 71346064
1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
2,3-dihydrophenanthrene-9,10-dione;ethane
CID 143477541
3,10-dihydro-2H-phenanthren-9-one
CID 154087651

Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene?
The IUPAC name of tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene (CID 76601679) is tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene.
What is the SMILES notation for tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene?
The canonical SMILES for tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene is C1=CC=C2C3=C(C=C1)CCCC=C3c1ccccc12.
What is the InChIKey of tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene?
The InChIKey is IQCDFFJXUDIHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-2-8-14-9-4-5-13-18-16-11-7-6-10-15(16)17(12-3-1)19(14)18/h1-3,6-8,10-13H,4-5,9H2.
What are the key properties of tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene?
tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene has a molecular weight of 244.34 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene is sourced from PubChem (CID 76601679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).