(4Z)-dodeca-1,4-diene

C12H22 — CID 12525542

IUPAC(4Z)-dodeca-1,4-diene
SMILESC=CC/C=C\CCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,7,9H,1,4-6,8,10-12H2,2H3/b9-7-
InChIKeyZJGWEDALHYHYSN-CLFYSBASSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds8

About (4Z)-dodeca-1,4-diene

(4Z)-dodeca-1,4-diene (PubChem CID 12525542) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4Z)-dodeca-1,4-diene.

Molecular Properties

Compound Name(4Z)-dodeca-1,4-diene
PubChem CID12525542
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4Z)-dodeca-1,4-diene
SMILESC=CC/C=C\CCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,7,9H,1,4-6,8,10-12H2,2H3/b9-7-
InChIKeyZJGWEDALHYHYSN-CLFYSBASSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-1,4,8-triene
CID 174048494
hexadeca-1,4,8-triene
CID 174048525
pentadeca-1,4,9-triene
CID 174048539
(10Z,13Z)-nonadeca-1,10,13-triene
CID 11832238
tetradeca-1,4,6-triene
CID 174048062
(6Z,9Z)-heptadeca-1,6,9-triene
CID 56936104
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
triaconta-1,19-diene
CID 54007897
pentacosa-1,16-diene
CID 57082437
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of (4Z)-dodeca-1,4-diene?
The IUPAC name of (4Z)-dodeca-1,4-diene (CID 12525542) is (4Z)-dodeca-1,4-diene.
What is the SMILES notation for (4Z)-dodeca-1,4-diene?
The canonical SMILES for (4Z)-dodeca-1,4-diene is C=CC/C=C\CCCCCCC.
What is the InChIKey of (4Z)-dodeca-1,4-diene?
The InChIKey is ZJGWEDALHYHYSN-CLFYSBASSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,7,9H,1,4-6,8,10-12H2,2H3/b9-7-.
What are the key properties of (4Z)-dodeca-1,4-diene?
(4Z)-dodeca-1,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-dodeca-1,4-diene is sourced from PubChem (CID 12525542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).