(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene

C11H16 — CID 134900772

IUPAC(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene
SMILESCC1(C)[C@@H]2/C=C\CC/C=C\[C@@H]21
InChIInChI=1S/C11H16/c1-11(2)9-7-5-3-4-6-8-10(9)11/h5-10H,3-4H2,1-2H3/b7-5-,8-6-/t9-,10+
InChIKeyGNCOCTOMZGGCEM-PUGGOQMBSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds

About (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene

(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene (PubChem CID 134900772) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene.

Molecular Properties

Compound Name(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene
PubChem CID134900772
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene
SMILESCC1(C)[C@@H]2/C=C\CC/C=C\[C@@H]21
InChIInChI=1S/C11H16/c1-11(2)9-7-5-3-4-6-8-10(9)11/h5-10H,3-4H2,1-2H3/b7-5-,8-6-/t9-,10+
InChIKeyGNCOCTOMZGGCEM-PUGGOQMBSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
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 (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene?
The IUPAC name of (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene (CID 134900772) is (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene.
What is the SMILES notation for (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene?
The canonical SMILES for (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene is CC1(C)[C@@H]2/C=C\CC/C=C\[C@@H]21.
What is the InChIKey of (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene?
The InChIKey is GNCOCTOMZGGCEM-PUGGOQMBSA-N. The full InChI is InChI=1S/C11H16/c1-11(2)9-7-5-3-4-6-8-10(9)11/h5-10H,3-4H2,1-2H3/b7-5-,8-6-/t9-,10+.
What are the key properties of (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene?
(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene has a molecular weight of 148.25 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 (1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene is sourced from PubChem (CID 134900772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).