tetracyclo[3.3.1.03,9.07,9]nonane

C9H12 — CID 22088061

IUPACtetracyclo[3.3.1.03,9.07,9]nonane
SMILESC1C2CC3CC4CC1C234
InChIInChI=1S/C9H12/c1-5-2-7-4-8-3-6(1)9(5,7)8/h5-8H,1-4H2
InChIKeyJQEFMAADBIZPEB-UHFFFAOYSA-N
MW120.20 g/mol
LogP2.05
Rot. Bonds

About tetracyclo[3.3.1.03,9.07,9]nonane

tetracyclo[3.3.1.03,9.07,9]nonane (PubChem CID 22088061) has the molecular formula C9H12 and a molecular weight of 120.20 g/mol. Its IUPAC name is tetracyclo[3.3.1.03,9.07,9]nonane.

Molecular Properties

Compound Nametetracyclo[3.3.1.03,9.07,9]nonane
PubChem CID22088061
Molecular FormulaC9H12
Molecular Weight120.20 g/mol
Exact Mass120.09
IUPAC Nametetracyclo[3.3.1.03,9.07,9]nonane
SMILESC1C2CC3CC4CC1C234
InChIInChI=1S/C9H12/c1-5-2-7-4-8-3-6(1)9(5,7)8/h5-8H,1-4H2
InChIKeyJQEFMAADBIZPEB-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[3.3.1.03,9.07,9]nonane?
The IUPAC name of tetracyclo[3.3.1.03,9.07,9]nonane (CID 22088061) is tetracyclo[3.3.1.03,9.07,9]nonane.
What is the SMILES notation for tetracyclo[3.3.1.03,9.07,9]nonane?
The canonical SMILES for tetracyclo[3.3.1.03,9.07,9]nonane is C1C2CC3CC4CC1C234.
What is the InChIKey of tetracyclo[3.3.1.03,9.07,9]nonane?
The InChIKey is JQEFMAADBIZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-5-2-7-4-8-3-6(1)9(5,7)8/h5-8H,1-4H2.
What are the key properties of tetracyclo[3.3.1.03,9.07,9]nonane?
tetracyclo[3.3.1.03,9.07,9]nonane has a molecular weight of 120.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[3.3.1.03,9.07,9]nonane is sourced from PubChem (CID 22088061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).