1,2,3,4,4a,8b-hexahydrobiphenylene

C12H14 — CID 15140078

IUPAC1,2,3,4,4a,8b-hexahydrobiphenylene
SMILESc1ccc2c(c1)C1CCCCC21
InChIInChI=1S/C12H14/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyIAZBSPNHEZJNFI-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.44
Rot. Bonds

About 1,2,3,4,4a,8b-hexahydrobiphenylene

1,2,3,4,4a,8b-hexahydrobiphenylene (PubChem CID 15140078) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,2,3,4,4a,8b-hexahydrobiphenylene.

Molecular Properties

Compound Name1,2,3,4,4a,8b-hexahydrobiphenylene
PubChem CID15140078
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,2,3,4,4a,8b-hexahydrobiphenylene
SMILESc1ccc2c(c1)C1CCCCC21
InChIInChI=1S/C12H14/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyIAZBSPNHEZJNFI-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8b-hexahydrobiphenylene?
The IUPAC name of 1,2,3,4,4a,8b-hexahydrobiphenylene (CID 15140078) is 1,2,3,4,4a,8b-hexahydrobiphenylene.
What is the SMILES notation for 1,2,3,4,4a,8b-hexahydrobiphenylene?
The canonical SMILES for 1,2,3,4,4a,8b-hexahydrobiphenylene is c1ccc2c(c1)C1CCCCC21.
What is the InChIKey of 1,2,3,4,4a,8b-hexahydrobiphenylene?
The InChIKey is IAZBSPNHEZJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-2,5-6,11-12H,3-4,7-8H2.
What are the key properties of 1,2,3,4,4a,8b-hexahydrobiphenylene?
1,2,3,4,4a,8b-hexahydrobiphenylene has a molecular weight of 158.24 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8b-hexahydrobiphenylene is sourced from PubChem (CID 15140078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).