(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene

C13H18 — CID 22138459

IUPAC(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
SMILESC1=CC2CC1C1/C=C\CCCCC21
InChIInChI=1S/C13H18/c1-2-4-6-13-11-8-7-10(9-11)12(13)5-3-1/h3,5,7-8,10-13H,1-2,4,6,9H2/b5-3-
InChIKeyWMSDJFAJTGHTLL-HYXAFXHYSA-N
MW174.29 g/mol
LogP3.55
Rot. Bonds

About (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene

(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene (PubChem CID 22138459) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene.

Molecular Properties

Compound Name(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
PubChem CID22138459
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
SMILESC1=CC2CC1C1/C=C\CCCCC21
InChIInChI=1S/C13H18/c1-2-4-6-13-11-8-7-10(9-11)12(13)5-3-1/h3,5,7-8,10-13H,1-2,4,6,9H2/b5-3-
InChIKeyWMSDJFAJTGHTLL-HYXAFXHYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.55
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 (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene?
The IUPAC name of (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene (CID 22138459) is (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene.
What is the SMILES notation for (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene?
The canonical SMILES for (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene is C1=CC2CC1C1/C=C\CCCCC21.
What is the InChIKey of (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene?
The InChIKey is WMSDJFAJTGHTLL-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-6-13-11-8-7-10(9-11)12(13)5-3-1/h3,5,7-8,10-13H,1-2,4,6,9H2/b5-3-.
What are the key properties of (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene?
(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene has a molecular weight of 174.29 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene is sourced from PubChem (CID 22138459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).