(2E,7E)-dodeca-2,7-diene

C12H22 — CID 173295735

IUPAC(2E,7E)-dodeca-2,7-diene
SMILESC/C=C/CCC/C=C/CCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,10,12H,4,6-9,11H2,1-2H3/b5-3+,12-10+
InChIKeyUEUZAZXQQXIPEN-RHMTYFIUSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (2E,7E)-dodeca-2,7-diene

(2E,7E)-dodeca-2,7-diene (PubChem CID 173295735) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2E,7E)-dodeca-2,7-diene.

Molecular Properties

Compound Name(2E,7E)-dodeca-2,7-diene
PubChem CID173295735
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2E,7E)-dodeca-2,7-diene
SMILESC/C=C/CCC/C=C/CCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,10,12H,4,6-9,11H2,1-2H3/b5-3+,12-10+
InChIKeyUEUZAZXQQXIPEN-RHMTYFIUSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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-2,10-diene
CID 174048350
hept-2-ene;methanol
CID 135236025
octadeca-2,10-diene
CID 54270716
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796
pentadeca-2,6-diene
CID 165019979
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
(2E,5E)-deca-2,5-diene
CID 6429648
oct-2-ene;hydrochloride
CID 86744102
(2Z,7Z)-deca-2,7-diene
CID 6429619
(Z)-icos-2-ene
CID 5352524

Frequently Asked Questions

What is the IUPAC name of (2E,7E)-dodeca-2,7-diene?
The IUPAC name of (2E,7E)-dodeca-2,7-diene (CID 173295735) is (2E,7E)-dodeca-2,7-diene.
What is the SMILES notation for (2E,7E)-dodeca-2,7-diene?
The canonical SMILES for (2E,7E)-dodeca-2,7-diene is C/C=C/CCC/C=C/CCCC.
What is the InChIKey of (2E,7E)-dodeca-2,7-diene?
The InChIKey is UEUZAZXQQXIPEN-RHMTYFIUSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,10,12H,4,6-9,11H2,1-2H3/b5-3+,12-10+.
What are the key properties of (2E,7E)-dodeca-2,7-diene?
(2E,7E)-dodeca-2,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-dodeca-2,7-diene is sourced from PubChem (CID 173295735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).