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(E) -Phytol

CAT: 0926-FP33649-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAS Number
150-86-7
Synonyms
(2E,7R,11R) -3,7,11,15-Tetramethyl-2-hexadecen-1-ol; (7R,11R,2E) -Phytol
MDL Number
MFCD00151280
Smiles
C[C@@H] (CCC[C@@H] (C) CCC/C (=C/CO) /C) CCCC (C) C
Molecular Formula
C20H40O
Molecular Weight
296.53 g/mol
Controlled
No

Chemical Information

Phytol

Phytol is a diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. It has a role as a schistosomicide drug, a plant metabolite and an algal metabolite. It is a diterpenoid and a long-chain primary fatty alcohol.

CAS Number150-86-7
PubChem CID5280435
IUPAC Name(E,7R,11R)-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
C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)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+/t18-,19-/m1/s1
InChIKey
BOTWFXYSPFMFNR-PYDDKJGSSA-N
Chemical Structure
2D Structure
2D structure of Phytol
CAS: 150-86-7
CID: 5280435
Formula: C20H40O
MW: 296.5
Interactive 3D Structure
Loading 3D structure...
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-250719Phytol
HY-N3075R-01Phytol (Standard)
CS-T-103562Phytol-d6
TRC-P398910-1Gtrans-Phytol
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