(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene

C12H16 — CID 98523968

IUPAC(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene
SMILESC1=C[C@@H]2[C@H](CC1)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C12H16/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1,3,5,7,9-12H,2,4,6,8H2/t9-,10+,11-,12+/m0/s1
InChIKeyOPOFYMSEXICFOW-WHOHXGKFSA-N
MW160.26 g/mol
LogP3.16
Rot. Bonds

About (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene

(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene (PubChem CID 98523968) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene.

Molecular Properties

Compound Name(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene
PubChem CID98523968
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene
SMILESC1=C[C@@H]2[C@H](CC1)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C12H16/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1,3,5,7,9-12H,2,4,6,8H2/t9-,10+,11-,12+/m0/s1
InChIKeyOPOFYMSEXICFOW-WHOHXGKFSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene?
The IUPAC name of (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene (CID 98523968) is (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene.
What is the SMILES notation for (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene?
The canonical SMILES for (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene is C1=C[C@@H]2[C@H](CC1)[C@@H]1C=C[C@H]2CC1.
What is the InChIKey of (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene?
The InChIKey is OPOFYMSEXICFOW-WHOHXGKFSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1,3,5,7,9-12H,2,4,6,8H2/t9-,10+,11-,12+/m0/s1.
What are the key properties of (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene?
(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene has a molecular weight of 160.26 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene is sourced from PubChem (CID 98523968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).