(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene

C13H16 — CID 143096583

IUPAC(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
SMILESC=C/C=C\C(=C)CC(=C)/C=C\C=C
InChIInChI=1S/C13H16/c1-5-7-9-12(3)11-13(4)10-8-6-2/h5-10H,1-4,11H2/b9-7-,10-8-
InChIKeyWJWBSDUAOVIYTM-XOHWUJONSA-N
MW172.27 g/mol
LogP3.97
Rot. Bonds6

About (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene

(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene (PubChem CID 143096583) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene.

Molecular Properties

Compound Name(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
PubChem CID143096583
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
SMILESC=C/C=C\C(=C)CC(=C)/C=C\C=C
InChIInChI=1S/C13H16/c1-5-7-9-12(3)11-13(4)10-8-6-2/h5-10H,1-4,11H2/b9-7-,10-8-
InChIKeyWJWBSDUAOVIYTM-XOHWUJONSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene?
The IUPAC name of (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene (CID 143096583) is (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene.
What is the SMILES notation for (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene?
The canonical SMILES for (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene is C=C/C=C\C(=C)CC(=C)/C=C\C=C.
What is the InChIKey of (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene?
The InChIKey is WJWBSDUAOVIYTM-XOHWUJONSA-N. The full InChI is InChI=1S/C13H16/c1-5-7-9-12(3)11-13(4)10-8-6-2/h5-10H,1-4,11H2/b9-7-,10-8-.
What are the key properties of (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene?
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene has a molecular weight of 172.27 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene is sourced from PubChem (CID 143096583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).