5-(2,6,6-Trimethyl-2-cyclohexenyl)-4-penten-3-one

CAS	127-42-4
Synonyms	6,6-Trimethyl-2-cyclohexen-1-yl)-1-([theta-(e)]-1-penten-3-one
IUPAC Name	(E)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one
Molecular Weight	206.32
Canonical SMILES	CCC(=O)C=CC1C(=CCCC1(C)C)C
InChI	InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m0/s1
InChI Key	VPKMGDRERYMTJX-XEHSLEBBSA-N
Boiling Point	238 °C
Flash Point	>100 °C
Purity	95%+
Density	0.928±0.06 g/cm³
Exact Mass	206.167065321
Isomeric SMILES	CCC(=O)/C=C/[C@H]1C(=CCCC1(C)C)C
Monoisotopic Mass	206.167065321
Physical State	Oily liquid
Refractive Index	n20/D 1.498-1.503(lit.)
Topological Polar Surface Area	17.1 Ų