(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne

C14H14 — CID 143999658

IUPAC(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
SMILESC=C/C=C\C(=C)C#CC(=C)/C=C\C=C
InChIInChI=1S/C14H14/c1-5-7-9-13(3)11-12-14(4)10-8-6-2/h5-10H,1-4H2/b9-7-,10-8-
InChIKeyAXCNKVHQGZHTRG-XOHWUJONSA-N
MW182.27 g/mol
LogP3.59
Rot. Bonds4

About (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne

(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne (PubChem CID 143999658) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne.

Molecular Properties

Compound Name(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
PubChem CID143999658
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
SMILESC=C/C=C\C(=C)C#CC(=C)/C=C\C=C
InChIInChI=1S/C14H14/c1-5-7-9-13(3)11-12-14(4)10-8-6-2/h5-10H,1-4H2/b9-7-,10-8-
InChIKeyAXCNKVHQGZHTRG-XOHWUJONSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The IUPAC name of (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne (CID 143999658) is (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne.
What is the SMILES notation for (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The canonical SMILES for (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne is C=C/C=C\C(=C)C#CC(=C)/C=C\C=C.
What is the InChIKey of (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The InChIKey is AXCNKVHQGZHTRG-XOHWUJONSA-N. The full InChI is InChI=1S/C14H14/c1-5-7-9-13(3)11-12-14(4)10-8-6-2/h5-10H,1-4H2/b9-7-,10-8-.
What are the key properties of (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne has a molecular weight of 182.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne is sourced from PubChem (CID 143999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).