(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene

C12H16 — CID 91699542

IUPAC(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
SMILESC1=C2C3=CCCC[C@@H]3[C@H]2CCC1
InChIInChI=1S/C12H16/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h5,7,10,12H,1-4,6,8H2/t10-,12+/m0/s1
InChIKeyKKSNHXJCBZFMPS-CMPLNLGQSA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds

About (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene

(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene (PubChem CID 91699542) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene.

Molecular Properties

Compound Name(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
PubChem CID91699542
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
SMILESC1=C2C3=CCCC[C@@H]3[C@H]2CCC1
InChIInChI=1S/C12H16/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h5,7,10,12H,1-4,6,8H2/t10-,12+/m0/s1
InChIKeyKKSNHXJCBZFMPS-CMPLNLGQSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257
(1S,3aZ,13aS)-1-methyl-1,2,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3-one
CID 98162399
3-butyl-2,3,3a,4,5,6-hexahydroinden-1-one
CID 142960803
9-oxo-2,3,4,4a,4b,5,6,7-octahydro-1H-phenanthrene-1-carboxylic acid
CID 54346802
(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
(2S,3R,3aR)-2-methyl-3-phenyl-2,3,3a,4,5,6-hexahydroinden-1-one
CID 102497508
2-cyclohex-2-en-1-ylcyclohex-2-en-1-one
CID 101209775
(2S,3R,3aR)-2-methyl-3-(4-methylphenyl)-2,3,3a,4,5,6-hexahydroinden-1-one
CID 102497509
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
(6-fluorocyclohexen-1-yl)benzene
CID 102284062
3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
CID 13321638

Frequently Asked Questions

What is the IUPAC name of (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The IUPAC name of (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene (CID 91699542) is (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene.
What is the SMILES notation for (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The canonical SMILES for (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene is C1=C2C3=CCCC[C@@H]3[C@H]2CCC1.
What is the InChIKey of (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
The InChIKey is KKSNHXJCBZFMPS-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h5,7,10,12H,1-4,6,8H2/t10-,12+/m0/s1.
What are the key properties of (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene?
(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene has a molecular weight of 160.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene is sourced from PubChem (CID 91699542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).