(2Z,4E)-5,9-dimethyldodeca-2,4-diene

C14H26 — CID 143714794

IUPAC(2Z,4E)-5,9-dimethyldodeca-2,4-diene
SMILESC/C=C\C=C(/C)CCCC(C)CCC
InChIInChI=1S/C14H26/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h5,7,10,13H,6,8-9,11-12H2,1-4H3/b7-5-,14-10+
InChIKeyJPQVOTHSHXPWLA-JGYYRVNPSA-N
MW194.36 g/mol
LogP5.12
Rot. Bonds7

About (2Z,4E)-5,9-dimethyldodeca-2,4-diene

(2Z,4E)-5,9-dimethyldodeca-2,4-diene (PubChem CID 143714794) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (2Z,4E)-5,9-dimethyldodeca-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-5,9-dimethyldodeca-2,4-diene
PubChem CID143714794
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(2Z,4E)-5,9-dimethyldodeca-2,4-diene
SMILESC/C=C\C=C(/C)CCCC(C)CCC
InChIInChI=1S/C14H26/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h5,7,10,13H,6,8-9,11-12H2,1-4H3/b7-5-,14-10+
InChIKeyJPQVOTHSHXPWLA-JGYYRVNPSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424
(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene
CID 143267861
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
CID 173080866
5,6-dimethyldeca-2,4-diene
CID 91470784
6-methylnon-2-ene
CID 21361194

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5,9-dimethyldodeca-2,4-diene?
The IUPAC name of (2Z,4E)-5,9-dimethyldodeca-2,4-diene (CID 143714794) is (2Z,4E)-5,9-dimethyldodeca-2,4-diene.
What is the SMILES notation for (2Z,4E)-5,9-dimethyldodeca-2,4-diene?
The canonical SMILES for (2Z,4E)-5,9-dimethyldodeca-2,4-diene is C/C=C\C=C(/C)CCCC(C)CCC.
What is the InChIKey of (2Z,4E)-5,9-dimethyldodeca-2,4-diene?
The InChIKey is JPQVOTHSHXPWLA-JGYYRVNPSA-N. The full InChI is InChI=1S/C14H26/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h5,7,10,13H,6,8-9,11-12H2,1-4H3/b7-5-,14-10+.
What are the key properties of (2Z,4E)-5,9-dimethyldodeca-2,4-diene?
(2Z,4E)-5,9-dimethyldodeca-2,4-diene has a molecular weight of 194.36 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5,9-dimethyldodeca-2,4-diene is sourced from PubChem (CID 143714794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).