(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene

C13H16 — CID 139245199

IUPAC(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene
SMILESC1=C\C=C/C2(CC2)CC2(\C=C/1)CC2
InChIInChI=1S/C13H16/c1-2-4-6-13(9-10-13)11-12(5-3-1)7-8-12/h1-6H,7-11H2/b2-1-,5-3-,6-4-
InChIKeyCTWBDJMULBGODA-XCADPSHZSA-N
MW172.27 g/mol
LogP3.62
Rot. Bonds

About (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene

(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene (PubChem CID 139245199) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene.

Molecular Properties

Compound Name(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene
PubChem CID139245199
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene
SMILESC1=C\C=C/C2(CC2)CC2(\C=C/1)CC2
InChIInChI=1S/C13H16/c1-2-4-6-13(9-10-13)11-12(5-3-1)7-8-12/h1-6H,7-11H2/b2-1-,5-3-,6-4-
InChIKeyCTWBDJMULBGODA-XCADPSHZSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene?
The IUPAC name of (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene (CID 139245199) is (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene.
What is the SMILES notation for (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene?
The canonical SMILES for (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene is C1=C\C=C/C2(CC2)CC2(\C=C/1)CC2.
What is the InChIKey of (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene?
The InChIKey is CTWBDJMULBGODA-XCADPSHZSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-6-13(9-10-13)11-12(5-3-1)7-8-12/h1-6H,7-11H2/b2-1-,5-3-,6-4-.
What are the key properties of (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene?
(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene has a molecular weight of 172.27 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene is sourced from PubChem (CID 139245199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).