(5Z,9E)-dodeca-1,5,9-triene

C12H20 — CID 173147853

IUPAC(5Z,9E)-dodeca-1,5,9-triene
SMILESC=CCC/C=C\CC/C=C/CC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,6,8-9,11H,1,4-5,7,10,12H2,2H3/b8-6+,11-9-
InChIKeyDSCSNXTUARIQTO-RVNZKKONSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds7

About (5Z,9E)-dodeca-1,5,9-triene

(5Z,9E)-dodeca-1,5,9-triene (PubChem CID 173147853) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (5Z,9E)-dodeca-1,5,9-triene.

Molecular Properties

Compound Name(5Z,9E)-dodeca-1,5,9-triene
PubChem CID173147853
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(5Z,9E)-dodeca-1,5,9-triene
SMILESC=CCC/C=C\CC/C=C/CC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,6,8-9,11H,1,4-5,7,10,12H2,2H3/b8-6+,11-9-
InChIKeyDSCSNXTUARIQTO-RVNZKKONSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

ethene;octa-1,5-diene
CID 175164046
hexadeca-1,5,13-triene
CID 174048718
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(5E)-deca-1,5,9-triene
CID 5362636
bis(cyclopenta-1,3-diene);octa-1,5-diene
CID 173396653
(5E)-nona-1,5-diene
CID 6429608
trideca-1,10-diene
CID 54351837
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
pentadeca-1,5,9-triene
CID 174048710
ethene;(Z)-hept-3-ene
CID 142517945
bis(pent-1-ene);pent-2-ene
CID 158608078

Frequently Asked Questions

What is the IUPAC name of (5Z,9E)-dodeca-1,5,9-triene?
The IUPAC name of (5Z,9E)-dodeca-1,5,9-triene (CID 173147853) is (5Z,9E)-dodeca-1,5,9-triene.
What is the SMILES notation for (5Z,9E)-dodeca-1,5,9-triene?
The canonical SMILES for (5Z,9E)-dodeca-1,5,9-triene is C=CCC/C=C\CC/C=C/CC.
What is the InChIKey of (5Z,9E)-dodeca-1,5,9-triene?
The InChIKey is DSCSNXTUARIQTO-RVNZKKONSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,6,8-9,11H,1,4-5,7,10,12H2,2H3/b8-6+,11-9-.
What are the key properties of (5Z,9E)-dodeca-1,5,9-triene?
(5Z,9E)-dodeca-1,5,9-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9E)-dodeca-1,5,9-triene is sourced from PubChem (CID 173147853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).