(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene

C12H16 — CID 173030637

IUPAC(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
SMILESC1=C\C/C=C\CC/C=C\C/C=C/1
InChIInChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-4,7-10H,5-6,11-12H2/b3-1-,4-2+,9-7-,10-8-
InChIKeyBTQSXGUCVXKFGT-GFZKAXSTSA-N
MW160.26 g/mol
LogP3.79
Rot. Bonds

About (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene

(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene (PubChem CID 173030637) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
PubChem CID173030637
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
SMILESC1=C\C/C=C\CC/C=C\C/C=C/1
InChIInChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-4,7-10H,5-6,11-12H2/b3-1-,4-2+,9-7-,10-8-
InChIKeyBTQSXGUCVXKFGT-GFZKAXSTSA-N
XLogP3.79
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 ≤ 53.79
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 (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene?
The IUPAC name of (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene (CID 173030637) is (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene.
What is the SMILES notation for (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene?
The canonical SMILES for (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene is C1=C\C/C=C\CC/C=C\C/C=C/1.
What is the InChIKey of (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene?
The InChIKey is BTQSXGUCVXKFGT-GFZKAXSTSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-4,7-10H,5-6,11-12H2/b3-1-,4-2+,9-7-,10-8-.
What are the key properties of (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene?
(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene has a molecular weight of 160.26 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene is sourced from PubChem (CID 173030637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).