8-phenyltricyclo[5.2.1.02,6]decane

C16H20 — CID 13205183

IUPAC8-phenyltricyclo[5.2.1.02,6]decane
SMILESc1ccc(C2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C16H20/c1-2-5-11(6-3-1)15-9-12-10-16(15)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2
InChIKeyZCFRUIFMECGSHM-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.23
Rot. Bonds1

About 8-phenyltricyclo[5.2.1.02,6]decane

8-phenyltricyclo[5.2.1.02,6]decane (PubChem CID 13205183) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 8-phenyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-phenyltricyclo[5.2.1.02,6]decane
PubChem CID13205183
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name8-phenyltricyclo[5.2.1.02,6]decane
SMILESc1ccc(C2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C16H20/c1-2-5-11(6-3-1)15-9-12-10-16(15)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2
InChIKeyZCFRUIFMECGSHM-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-phenyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-phenyltricyclo[5.2.1.02,6]decane (CID 13205183) is 8-phenyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-phenyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-phenyltricyclo[5.2.1.02,6]decane is c1ccc(C2CC3CC2C2CCCC32)cc1.
What is the InChIKey of 8-phenyltricyclo[5.2.1.02,6]decane?
The InChIKey is ZCFRUIFMECGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-5-11(6-3-1)15-9-12-10-16(15)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2.
What are the key properties of 8-phenyltricyclo[5.2.1.02,6]decane?
8-phenyltricyclo[5.2.1.02,6]decane has a molecular weight of 212.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 13205183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).