791104-70-6
BICYCLO[2.2.1]HEPT-5-EN-2-OL, 1,7,7-TRIMETHYL-2-PHENYL-, (1S,2R,4R)-
NameBICYCLO[2.2.1]HEPT-5-EN-2-OL, 1,7,7-TRIMETHYL-2-PHENYL-, (1S,2R,4R)-
1Identification
【Name】
BICYCLO[2.2.1]HEPT-5-EN-2-OL, 1,7,7-TRIMETHYL-2-PHENYL-, (1S,2R,4R)-
【CAS】
【MDL】
MFCD18832817
【English Synonyms】
【Formula】
C16 H20 O
【MolWeight】
228.333
【Inchi】
InChI=1S/C16H20O/c1-14(2)13-9-10-15(14,3)16(17,11-13)12-7-5-4-6-8-12/h4-10,13,17H,11H2,1-3H3/t13-,15+,16-/m1/s1
【InChIKey】
InChIKey=KIWZSOQWKPCHME-VNQPRFMTSA-N
【SMILES】
CC1([C@H]2C[C@]([C@]1(C=C2)C)(c3ccccc3)O)C
【MOL File】
BICYCLO[2.2.1]HEPT-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[2.2.1]HEPT-5-EN-2-OL, 1,7,7-TRIMETHYL-2-PHENYL-, (1S,2R,4R)-.cml