(3Z,9Z)-dodeca-3,9-dien-1,11-diyne

C12H14 — CID 11693943

IUPAC(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
SMILESC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C12H14/c1-3-5-7-9-11-12-10-8-6-4-2/h1-2,5-8H,9-12H2/b7-5-,8-6-
InChIKeyDYFZQFTUBOYPPV-SFECMWDFSA-N
MW158.24 g/mol
LogP2.93
Rot. Bonds5

About (3Z,9Z)-dodeca-3,9-dien-1,11-diyne

(3Z,9Z)-dodeca-3,9-dien-1,11-diyne (PubChem CID 11693943) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3Z,9Z)-dodeca-3,9-dien-1,11-diyne.

Molecular Properties

Compound Name(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
PubChem CID11693943
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
SMILESC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C12H14/c1-3-5-7-9-11-12-10-8-6-4-2/h1-2,5-8H,9-12H2/b7-5-,8-6-
InChIKeyDYFZQFTUBOYPPV-SFECMWDFSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-dodeca-3,9-dien-1,11-diyne?
The IUPAC name of (3Z,9Z)-dodeca-3,9-dien-1,11-diyne (CID 11693943) is (3Z,9Z)-dodeca-3,9-dien-1,11-diyne.
What is the SMILES notation for (3Z,9Z)-dodeca-3,9-dien-1,11-diyne?
The canonical SMILES for (3Z,9Z)-dodeca-3,9-dien-1,11-diyne is C#C/C=C\CCCC/C=C\C#C.
What is the InChIKey of (3Z,9Z)-dodeca-3,9-dien-1,11-diyne?
The InChIKey is DYFZQFTUBOYPPV-SFECMWDFSA-N. The full InChI is InChI=1S/C12H14/c1-3-5-7-9-11-12-10-8-6-4-2/h1-2,5-8H,9-12H2/b7-5-,8-6-.
What are the key properties of (3Z,9Z)-dodeca-3,9-dien-1,11-diyne?
(3Z,9Z)-dodeca-3,9-dien-1,11-diyne has a molecular weight of 158.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-dodeca-3,9-dien-1,11-diyne is sourced from PubChem (CID 11693943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).