tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene

C11H8 — CID 143781348

IUPACtricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene
SMILESC1=CC2=C3C=CC(=C3)CC2=C1
InChIInChI=1S/C11H8/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h1-5,7H,6H2
InChIKeyXVQCEHDNVQOXSG-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.68
Rot. Bonds

About tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene

tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene (PubChem CID 143781348) has the molecular formula C11H8 and a molecular weight of 140.18 g/mol. Its IUPAC name is tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene.

Molecular Properties

Compound Nametricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene
PubChem CID143781348
Molecular FormulaC11H8
Molecular Weight140.18 g/mol
Exact Mass140.06
IUPAC Nametricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene
SMILESC1=CC2=C3C=CC(=C3)CC2=C1
InChIInChI=1S/C11H8/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h1-5,7H,6H2
InChIKeyXVQCEHDNVQOXSG-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene with MolForge

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Related Compounds

bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
CID 12859387
bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbonitrile
CID 12840769
4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
CID 142722776
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 101378249
5,7-dihydronaphthalene-1,6-dione
CID 19873270
8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene
CID 15528895
9H-cyclopenta[b]naphthalene
CID 66779977
1-(3-cycloprop-2-en-1-ylidenecyclopropen-1-yl)-5-methylidenecyclopenta-1,3-diene
CID 101113011
4H-cyclopenta[b]fluoren-9-one
CID 142092111
(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 23247675
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene?
The IUPAC name of tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene (CID 143781348) is tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene.
What is the SMILES notation for tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene?
The canonical SMILES for tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene is C1=CC2=C3C=CC(=C3)CC2=C1.
What is the InChIKey of tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene?
The InChIKey is XVQCEHDNVQOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h1-5,7H,6H2.
What are the key properties of tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene?
tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene has a molecular weight of 140.18 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene is sourced from PubChem (CID 143781348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).