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(E, E, Z) -10,12,14-Hexadecatrienal

CAT: 0931-TN8000-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8000-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123200-21-5
Bioactivity
(E, E, Z) -10,12,14-Hexadecatrienal, a pheromone produced by female Manduca sexta, offers a streamlined description while maintaining the scientific integrity of the original statement.
Smiles
C(C/C=C/C=C/C=C\C)CCCCCCC=O
Molecular Formula
C16H26O
Molecular Weight
234.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

10,12,14-Hexadecatrienal, (E,E,E)-
CAS Number123200-21-5
PubChem CID54252141
IUPAC Namehexadeca-10,12,14-trienal
Molecular FormulaC16H26O
Molecular Weight234.38
XLogP5.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count17
Formal Charge0
Complexity236
SMILES
CC=CC=CC=CCCCCCCCCC=O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-7,16H,8-15H2,1H3
InChIKey
QXMRYABYXKUWCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10,12,14-Hexadecatrienal, (E,E,E)-
CAS: 123200-21-5
CID: 54252141
Formula: C16H26O
MW: 234.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.38
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass234.198365449
Monoisotopic Mass234.198365449
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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