(4E,8E)-dodeca-4,8-diene

C12H22 — CID 12576905

IUPAC(4E,8E)-dodeca-4,8-diene
SMILESCCC/C=C/CC/C=C/CCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyLOSVNBNMFDTZID-FIFLTTCUSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (4E,8E)-dodeca-4,8-diene

(4E,8E)-dodeca-4,8-diene (PubChem CID 12576905) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4E,8E)-dodeca-4,8-diene.

Molecular Properties

Compound Name(4E,8E)-dodeca-4,8-diene
PubChem CID12576905
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4E,8E)-dodeca-4,8-diene
SMILESCCC/C=C/CC/C=C/CCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyLOSVNBNMFDTZID-FIFLTTCUSA-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

(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(6Z)-deca-2,6-diene
CID 159397578
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(5E)-nona-1,5-diene
CID 6429608
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
pentadeca-4,8-diene
CID 90864504
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
ethene;(Z)-hept-3-ene
CID 142517945
[(E)-hex-2-enyl]phosphane
CID 88550946

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-dodeca-4,8-diene?
The IUPAC name of (4E,8E)-dodeca-4,8-diene (CID 12576905) is (4E,8E)-dodeca-4,8-diene.
What is the SMILES notation for (4E,8E)-dodeca-4,8-diene?
The canonical SMILES for (4E,8E)-dodeca-4,8-diene is CCC/C=C/CC/C=C/CCC.
What is the InChIKey of (4E,8E)-dodeca-4,8-diene?
The InChIKey is LOSVNBNMFDTZID-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+.
What are the key properties of (4E,8E)-dodeca-4,8-diene?
(4E,8E)-dodeca-4,8-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 (4E,8E)-dodeca-4,8-diene is sourced from PubChem (CID 12576905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).