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16-Tritriacontanone

CAT: 0572-TRC-T789345-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T789345-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15740-35-9
Synonyms
16-Tritriacontanone; n-Tritriacontan-16-one
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Molecular Formula
C33 H66 O
Molecular Weight
478.877
InChI
InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
Additionnal Information
IUPAC name: tritriacontan-16-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tritriacontan-16-one

tritriacontan-16-one has been reported in Solanum tuberosum with data available.

CAS Number15740-35-9
PubChem CID243701
IUPAC Nametritriacontan-16-one
Molecular FormulaC33H66O
Molecular Weight478.9
XLogP15.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count30
Heavy Atom Count34
Formal Charge0
Complexity375
SMILES
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
HHFBKIZDFWDJGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tritriacontan-16-one
CAS: 15740-35-9
CID: 243701
Formula: C33H66O
MW: 478.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.9
XLogP315.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count30
Exact Mass478.511366725
Monoisotopic Mass478.511366725
Topological Polar Surface Area17.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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