tetracyclo[6.2.2.13,6.02,7]tridecane

C13H20 — CID 12936582

IUPACtetracyclo[6.2.2.13,6.02,7]tridecane
SMILESC1CC2CCC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20/c1-2-9-4-3-8(1)12-10-5-6-11(7-10)13(9)12/h8-13H,1-7H2
InChIKeySETMLOLQCIXUKW-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

About tetracyclo[6.2.2.13,6.02,7]tridecane

tetracyclo[6.2.2.13,6.02,7]tridecane (PubChem CID 12936582) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is tetracyclo[6.2.2.13,6.02,7]tridecane.

Molecular Properties

Compound Nametetracyclo[6.2.2.13,6.02,7]tridecane
PubChem CID12936582
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametetracyclo[6.2.2.13,6.02,7]tridecane
SMILESC1CC2CCC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20/c1-2-9-4-3-8(1)12-10-5-6-11(7-10)13(9)12/h8-13H,1-7H2
InChIKeySETMLOLQCIXUKW-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[6.2.2.13,6.02,7]tridecane?
The IUPAC name of tetracyclo[6.2.2.13,6.02,7]tridecane (CID 12936582) is tetracyclo[6.2.2.13,6.02,7]tridecane.
What is the SMILES notation for tetracyclo[6.2.2.13,6.02,7]tridecane?
The canonical SMILES for tetracyclo[6.2.2.13,6.02,7]tridecane is C1CC2CCC1C1C3CCC(C3)C21.
What is the InChIKey of tetracyclo[6.2.2.13,6.02,7]tridecane?
The InChIKey is SETMLOLQCIXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-9-4-3-8(1)12-10-5-6-11(7-10)13(9)12/h8-13H,1-7H2.
What are the key properties of tetracyclo[6.2.2.13,6.02,7]tridecane?
tetracyclo[6.2.2.13,6.02,7]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[6.2.2.13,6.02,7]tridecane is sourced from PubChem (CID 12936582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).