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2,6,10-Trimethyldodecane

CAT: 0024-sc-260315Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-260315Size:1 mL
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CAS Number
3891-98-3

Chemical Information

Farnesane

Farnesane is a sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. It has a role as a plant metabolite. It is an alkane and a sesquiterpene.

CAS Number3891-98-3
PubChem CID19773
IUPAC Name2,6,10-trimethyldodecane
Molecular FormulaC15H32
Molecular Weight212.41
XLogP7.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity126
SMILES
CCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKey
YFHFHLSMISYUAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Farnesane
CAS: 3891-98-3
CID: 19773
Formula: C15H32
MW: 212.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.41
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass212.250401021
Monoisotopic Mass212.250401021
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR23782,6,10-Trimethyldodecane
420966-012,6,10-Trimethyl-2,6,10-dodecatriene
OR1030702-012,6,10-Trimethyl-2,6,10-Triazaundecane
TRC-T901494-500MG2,6,10-Trimethyltridecane
OR1046557-012,6,10-Trimethylpentadecane
HY-W654295Norethindrone-2,2,4,6,6,10-d6
G368251Gestodene-2,2,4,6,6,10-d6
T83470-0110-Hydroxy-2,6,10-trimethyl-2,6,11-dodeca-4-one
HY-W716889-012,6,10,14-Tetramethylhexadecane
MBS392015-012,6,10,14-Tetramethylpentadecane

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