(+)-Phytone - CAS 16825-16-4

Catalog:	BB076553
Product Name:	(+)-Phytone
CAS:	16825-16-4
Synonyms:	(6R,10R)-6,10,14-Trimethylpentadecan-2-one;(6R,10R)-6,10,14-Trimethylpentadecan-2-one; (R,R)-Phytone; Phytol Ketone; Phytone; Phytone (ketone)

Technical Data

IUPAC Name:	(6R,10R)-6,10,14-trimethylpentadecan-2-one
Description:	(+)-Phytone is an constituent of leaf essential oil of Lawsonia Inermis growing in Nepal with potential anti-microbial activities.
Molecular Weight:	268.48
Molecular Formula:	C18H36O
Canonical SMILES:	CC(C)CCCC(C)CCCC(C)CCCC(=O)C
InChI:	InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1
InChI Key:	WHWDWIHXSPCOKZ-IAGOWNOFSA-N
Solubility:	Benzene (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Clear Colourless Oil
Storage:	4°C
References:	Satyal, P., et al. Pharmacol., 1, 31 (2012).

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	268.276615768
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.276615768
Rotatable Bond Count:	12
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.9