rel-(1R,4S,6S)-4-[(1Z)-1,5-Dimethyl-1,4-hexadien-1-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane - CAS 112574-90-0

Catalog:	BB054232
Product Name:	rel-(1R,4S,6S)-4-[(1Z)-1,5-Dimethyl-1,4-hexadien-1-yl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CAS:	112574-90-0
Synonyms:	7-Oxabicyclo[4.1.0]heptane, 4-[(1Z)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl-, (1R,4S,6S)-rel-; 7-Oxabicyclo[4.1.0]heptane, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-, [1α,4β(Z),6α]-; 7-Oxabicyclo[4.1.0]heptane, 4-[(1Z)-1,5-dimethyl-1,4-hexadienyl]-1-methyl-, (1R,4S,6S)-rel-

Technical Data

Related CAS:	143344-52-9 111613-41-3 ((1R,4S,6S)-isomer)
IUPAC Name:	(1R,4S,6S)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
Molecular Weight:	220.35
Molecular Formula:	C15H24O
Canonical SMILES:	CC(=CCC=C(C)C1CCC2(C(C1)O2)C)C
InChI:	InChI=1/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6-7,13-14H,5,8-10H2,1-4H3/b12-7-/t13-,14-,15+/s2
InChI Key:	BOWJPMUUGHPAAF-MBWBDZDBNA-N
Boiling Point:	295.3±9.0°C at 760 mmHg
Density:	0.953±0.1 g/cm3

Complexity:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	1
Exact Mass:	220.182715385
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.182715385
Rotatable Bond Count:	3
Topological Polar Surface Area:	12.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3