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Phytol

CAT: 0926-FP52747-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAS Number
7541-49-3
Synonyms
3,7,11,15-Tetramethyl-2-hexadecen-1-ol
MDL Number
MFCD00002919
Smiles
CC (C) CCCC (C) CCCC (C) CCC/C (=C/CO) /C
Molecular Formula
C20H40O
Molecular Weight
296.53 g/mol
Controlled
No

Chemical Information

3,7,11,15-Tetramethyl-2-hexadecen-1-OL

3,7,11,15-tetramethylhexadec-2-en-1-ol has been reported in Excoecaria acerifolia, Artemisia carvifolia, and other organisms with data available.

CAS Number7541-49-3
PubChem CID5366244
IUPAC Name(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Molecular FormulaC20H40O
Molecular Weight296.5
XLogP8.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count21
Formal Charge0
Complexity255
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO)/C
InChI
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
InChIKey
BOTWFXYSPFMFNR-HMMYKYKNSA-N
Chemical Structure
2D Structure
2D structure of 3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CAS: 7541-49-3
CID: 5366244
Formula: C20H40O
MW: 296.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.5
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass296.307915895
Monoisotopic Mass296.307915895
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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