(2S,6R)-tricyclo[5.1.1.02,6]nonane

C9H14 — CID 638062

IUPAC(2S,6R)-tricyclo[5.1.1.02,6]nonane
SMILESC1C[C@@H]2C3CC(C3)[C@@H]2C1
InChIInChI=1S/C9H14/c1-2-8-6-4-7(5-6)9(8)3-1/h6-9H,1-5H2/t6?,7?,8-,9+
InChIKeyCWYGMIBBXGZPNI-WZENYGAOSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About (2S,6R)-tricyclo[5.1.1.02,6]nonane

(2S,6R)-tricyclo[5.1.1.02,6]nonane (PubChem CID 638062) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (2S,6R)-tricyclo[5.1.1.02,6]nonane.

Molecular Properties

Compound Name(2S,6R)-tricyclo[5.1.1.02,6]nonane
PubChem CID638062
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(2S,6R)-tricyclo[5.1.1.02,6]nonane
SMILESC1C[C@@H]2C3CC(C3)[C@@H]2C1
InChIInChI=1S/C9H14/c1-2-8-6-4-7(5-6)9(8)3-1/h6-9H,1-5H2/t6?,7?,8-,9+
InChIKeyCWYGMIBBXGZPNI-WZENYGAOSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-tricyclo[5.1.1.02,6]nonane?
The IUPAC name of (2S,6R)-tricyclo[5.1.1.02,6]nonane (CID 638062) is (2S,6R)-tricyclo[5.1.1.02,6]nonane.
What is the SMILES notation for (2S,6R)-tricyclo[5.1.1.02,6]nonane?
The canonical SMILES for (2S,6R)-tricyclo[5.1.1.02,6]nonane is C1C[C@@H]2C3CC(C3)[C@@H]2C1.
What is the InChIKey of (2S,6R)-tricyclo[5.1.1.02,6]nonane?
The InChIKey is CWYGMIBBXGZPNI-WZENYGAOSA-N. The full InChI is InChI=1S/C9H14/c1-2-8-6-4-7(5-6)9(8)3-1/h6-9H,1-5H2/t6?,7?,8-,9+.
What are the key properties of (2S,6R)-tricyclo[5.1.1.02,6]nonane?
(2S,6R)-tricyclo[5.1.1.02,6]nonane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-tricyclo[5.1.1.02,6]nonane is sourced from PubChem (CID 638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).