tetracyclo[8.2.1.02,9.03,7]tridecane

C13H20 — CID 117070325

IUPACtetracyclo[8.2.1.02,9.03,7]tridecane
SMILESC1CC2CC3C4CCC(C4)C3C2C1
InChIInChI=1S/C13H20/c1-2-8-7-12-9-4-5-10(6-9)13(12)11(8)3-1/h8-13H,1-7H2
InChIKeyFONGDJLYNQZXKW-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

About tetracyclo[8.2.1.02,9.03,7]tridecane

tetracyclo[8.2.1.02,9.03,7]tridecane (PubChem CID 117070325) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is tetracyclo[8.2.1.02,9.03,7]tridecane.

Molecular Properties

Compound Nametetracyclo[8.2.1.02,9.03,7]tridecane
PubChem CID117070325
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametetracyclo[8.2.1.02,9.03,7]tridecane
SMILESC1CC2CC3C4CCC(C4)C3C2C1
InChIInChI=1S/C13H20/c1-2-8-7-12-9-4-5-10(6-9)13(12)11(8)3-1/h8-13H,1-7H2
InChIKeyFONGDJLYNQZXKW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.2.1.02,9.03,7]tridecane?
The IUPAC name of tetracyclo[8.2.1.02,9.03,7]tridecane (CID 117070325) is tetracyclo[8.2.1.02,9.03,7]tridecane.
What is the SMILES notation for tetracyclo[8.2.1.02,9.03,7]tridecane?
The canonical SMILES for tetracyclo[8.2.1.02,9.03,7]tridecane is C1CC2CC3C4CCC(C4)C3C2C1.
What is the InChIKey of tetracyclo[8.2.1.02,9.03,7]tridecane?
The InChIKey is FONGDJLYNQZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-8-7-12-9-4-5-10(6-9)13(12)11(8)3-1/h8-13H,1-7H2.
What are the key properties of tetracyclo[8.2.1.02,9.03,7]tridecane?
tetracyclo[8.2.1.02,9.03,7]tridecane has a molecular weight of 176.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.2.1.02,9.03,7]tridecane is sourced from PubChem (CID 117070325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).