bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene

C12H10 — CID 123639950

IUPACbicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=CC=C2C=C2C=CC=C1
InChIInChI=1S/C12H10/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-10H
InChIKeyBLCACQGJIUMEPQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP3.09
Rot. Bonds

About bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene

bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 123639950) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Namebicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID123639950
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Namebicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=CC=C2C=C2C=CC=C1
InChIInChI=1S/C12H10/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-10H
InChIKeyBLCACQGJIUMEPQ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 54413648
2-ethylheptalene
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1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
pentalene;vanadium
CID 161032270
1H-cyclohepta[b]pyridine;hydrofluoride
CID 161223924
1-hydroxycyclohepta[b]pyridine
CID 172853413
1,4-dimethylheptalene
CID 20818218
2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene
CID 151620754
3-(cyclododecahexaenyl)-5-fluoropyridine
CID 174005986
CID 135049728
CID 135049728
(1Z,3Z,5Z,7Z)-1,3-dimethylcycloocta-1,3,5,7-tetraene
CID 139752949
1H-benzo[7]annulene-1-carboxylic acid
CID 140604884

Frequently Asked Questions

What is the IUPAC name of bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene (CID 123639950) is bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene is C1=CC=CC=C2C=C2C=CC=C1.
What is the InChIKey of bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is BLCACQGJIUMEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-10H.
What are the key properties of bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene?
bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 154.21 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 123639950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).