tricyclo[4.3.0.02,7]nona-1,6-diene

C9H10 — CID 149382388

IUPACtricyclo[4.3.0.02,7]nona-1,6-diene
SMILESC1CC2=C3CCC2=C3C1
InChIInChI=1S/C9H10/c1-2-6-8-4-5-9(6)7(8)3-1/h1-5H2
InChIKeyYLXHKKCAIGNHPK-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.57
Rot. Bonds

About tricyclo[4.3.0.02,7]nona-1,6-diene

tricyclo[4.3.0.02,7]nona-1,6-diene (PubChem CID 149382388) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is tricyclo[4.3.0.02,7]nona-1,6-diene.

Molecular Properties

Compound Nametricyclo[4.3.0.02,7]nona-1,6-diene
PubChem CID149382388
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Nametricyclo[4.3.0.02,7]nona-1,6-diene
SMILESC1CC2=C3CCC2=C3C1
InChIInChI=1S/C9H10/c1-2-6-8-4-5-9(6)7(8)3-1/h1-5H2
InChIKeyYLXHKKCAIGNHPK-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 101021566
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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.0.02,7]nona-1,6-diene?
The IUPAC name of tricyclo[4.3.0.02,7]nona-1,6-diene (CID 149382388) is tricyclo[4.3.0.02,7]nona-1,6-diene.
What is the SMILES notation for tricyclo[4.3.0.02,7]nona-1,6-diene?
The canonical SMILES for tricyclo[4.3.0.02,7]nona-1,6-diene is C1CC2=C3CCC2=C3C1.
What is the InChIKey of tricyclo[4.3.0.02,7]nona-1,6-diene?
The InChIKey is YLXHKKCAIGNHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-6-8-4-5-9(6)7(8)3-1/h1-5H2.
What are the key properties of tricyclo[4.3.0.02,7]nona-1,6-diene?
tricyclo[4.3.0.02,7]nona-1,6-diene has a molecular weight of 118.18 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.0.02,7]nona-1,6-diene is sourced from PubChem (CID 149382388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).