(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene

C16H26 — CID 142629908

IUPAC(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
SMILESC=C/C(C)=C\CCCCCC/C=C(\C)C=C
InChIInChI=1S/C16H26/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3/b15-13-,16-14+
InChIKeyFOLXCHIYEAHMNJ-VCFJNTAESA-N
MW218.38 g/mol
LogP5.59
Rot. Bonds9

About (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene

(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene (PubChem CID 142629908) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene.

Molecular Properties

Compound Name(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
PubChem CID142629908
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
SMILESC=C/C(C)=C\CCCCCC/C=C(\C)C=C
InChIInChI=1S/C16H26/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3/b15-13-,16-14+
InChIKeyFOLXCHIYEAHMNJ-VCFJNTAESA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-methyldodeca-1,3-diene
CID 13382661
(3E)-3-methylnona-1,3-diene
CID 13382655
(6E)-7-methylnona-6,8-dienoic acid
CID 14813173
3-methylpenta-2,4-dien-1-ol
CID 534959
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
3-methylhepta-1,3,6-triene
CID 71444747
(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol
CID 88710023
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
3,6-dimethylhepta-1,3,6-triene
CID 123605214
(3E)-7-methoxy-3,7-dimethylocta-1,3-diene
CID 88725055
(3Z,7Z,11E)-2,12-dimethyl-5,6-dimethylidene-7-(2-methylprop-2-enylidene)tetradeca-1,3,11,13-tetraene
CID 143934062
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749

Frequently Asked Questions

What is the IUPAC name of (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene?
The IUPAC name of (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene (CID 142629908) is (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene.
What is the SMILES notation for (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene?
The canonical SMILES for (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene is C=C/C(C)=C\CCCCCC/C=C(\C)C=C.
What is the InChIKey of (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene?
The InChIKey is FOLXCHIYEAHMNJ-VCFJNTAESA-N. The full InChI is InChI=1S/C16H26/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3/b15-13-,16-14+.
What are the key properties of (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene?
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene is sourced from PubChem (CID 142629908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).