8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene

C13H16 — CID 54289417

IUPAC8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
SMILESCC12CCCCC1c1ccccc12
InChIInChI=1S/C13H16/c1-13-9-5-4-8-12(13)10-6-2-3-7-11(10)13/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyOCXQSWQNVCKABY-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.62
Rot. Bonds

About 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene

8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene (PubChem CID 54289417) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene.

Molecular Properties

Compound Name8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
PubChem CID54289417
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
SMILESCC12CCCCC1c1ccccc12
InChIInChI=1S/C13H16/c1-13-9-5-4-8-12(13)10-6-2-3-7-11(10)13/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyOCXQSWQNVCKABY-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene?
The IUPAC name of 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene (CID 54289417) is 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene.
What is the SMILES notation for 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene?
The canonical SMILES for 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene is CC12CCCCC1c1ccccc12.
What is the InChIKey of 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene?
The InChIKey is OCXQSWQNVCKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-13-9-5-4-8-12(13)10-6-2-3-7-11(10)13/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene?
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene has a molecular weight of 172.27 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene is sourced from PubChem (CID 54289417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).