tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene

C20H22 — CID 91804905

IUPACtetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)CCCCCCC3
InChIInChI=1S/C20H22/c1-2-4-8-15-12-13-17-14-16-9-6-7-11-19(16)20(17)18(15)10-5-3-1/h6-7,9,11-13H,1-5,8,10,14H2
InChIKeyLWLSUTYOPJAWPA-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.31
Rot. Bonds

About tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene

tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene (PubChem CID 91804905) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene.

Molecular Properties

Compound Nametetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
PubChem CID91804905
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Nametetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)CCCCCCC3
InChIInChI=1S/C20H22/c1-2-4-8-15-12-13-17-14-16-9-6-7-11-19(16)20(17)18(15)10-5-3-1/h6-7,9,11-13H,1-5,8,10,14H2
InChIKeyLWLSUTYOPJAWPA-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene with MolForge

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Related Compounds

2,3,4,6-tetrahydro-1H-chrysen-5-one
CID 174299531
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894
2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
CID 158268251
ethene;9H-fluorene
CID 159544077
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
CID 59858821
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
5-methyl-8,13-dihydroindeno[1,2-a]acridine
CID 158084314
4-oxatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-3,5-dione
CID 101490338
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914

Frequently Asked Questions

What is the IUPAC name of tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene?
The IUPAC name of tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene (CID 91804905) is tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene.
What is the SMILES notation for tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene?
The canonical SMILES for tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene is c1ccc2c(c1)Cc1ccc3c(c1-2)CCCCCCC3.
What is the InChIKey of tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene?
The InChIKey is LWLSUTYOPJAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-2-4-8-15-12-13-17-14-16-9-6-7-11-19(16)20(17)18(15)10-5-3-1/h6-7,9,11-13H,1-5,8,10,14H2.
What are the key properties of tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene?
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene has a molecular weight of 262.40 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene is sourced from PubChem (CID 91804905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).