bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

C12H12 — CID 71437852

IUPACbicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2C=CCC=CC(=C1)C2
InChIInChI=1S/C12H12/c1-2-6-11-8-4-5-9-12(10-11)7-3-1/h2-9H,1,10H2
InChIKeyPJQWLKKPIOOZAD-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.32
Rot. Bonds

About bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (PubChem CID 71437852) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.

Molecular Properties

Compound Namebicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
PubChem CID71437852
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Namebicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2C=CCC=CC(=C1)C2
InChIInChI=1S/C12H12/c1-2-6-11-8-4-5-9-12(10-11)7-3-1/h2-9H,1,10H2
InChIKeyPJQWLKKPIOOZAD-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995
(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 23247675
2-[(2Z,5Z)-4-bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaenylidene]propanedinitrile
CID 102090566
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylic acid
CID 12564651
cyclohepta-1,3,6-trien-1-amine
CID 141371533
2-(3-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetonitrile
CID 125469506
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
CID 12859387
(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene
CID 163444403
(2E,4E,6Z,14E,16E,18Z)-9,12-dichlorobicyclo[18.4.1]pentacosa-1(24),2,4,6,9,10,11,14,16,18,20,22-dodecaene-8,13-dione
CID 20704497
5-methoxy-4-azabicyclo[6.4.1]trideca-1(12),2,4,6,8,10-hexaene
CID 71364933
(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E,28E,30Z)-13,18-ditert-butylbicyclo[30.4.1]heptatriaconta-1(36),2,4,6,8,10,12,18,20,22,24,26,28,30,32,34-hexadecaen-14,16-diyne
CID 23281296

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The IUPAC name of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (CID 71437852) is bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.
What is the SMILES notation for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The canonical SMILES for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is C1=CC=C2C=CCC=CC(=C1)C2.
What is the InChIKey of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The InChIKey is PJQWLKKPIOOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-6-11-8-4-5-9-12(10-11)7-3-1/h2-9H,1,10H2.
What are the key properties of bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene has a molecular weight of 156.23 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is sourced from PubChem (CID 71437852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).