(1R,2R)-rel-2-Methoxycyclopentanecarboxaldehyde - CAS 53229-77-9

Catalog:	BB076022
Product Name:	(1R,2R)-rel-2-Methoxycyclopentanecarboxaldehyde
CAS:	53229-77-9
Synonyms:	trans-(±)-2-Methoxycyclopentanecarboxaldehyde; trans-2-Methoxycyclopentanecarboxaldehyde

Technical Data

IUPAC Name:	(1R,2R)-2-methoxycyclopentane-1-carbaldehyde
Description:	(1R,2R)-rel-2-Methoxycyclopentanecarboxaldehyde is used in the synthesis of dl-9-Deoxyprostaglandin E1; Also, it is the trans isomer of (1R,2S)-rel-2-Methoxycyclopentanecarboxaldehyde (M312170), which is derived from Methyl 2-Cyclopentanonecarboxylate (M294705), which is used in the synthesis of functionalized ketones.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	COC1CCCC1C=O
InChI:	InChI=1S/C7H12O2/c1-9-7-4-2-3-6(7)5-8/h5-7H,2-4H2,1H3/t6-,7+/m0/s1
InChI Key:	GENLUEWRJJTDQS-NKWVEPMBSA-N
References:	Finch, N., et al. J. Org. Chem., 40, 206-215 (1975); Mashima, K. et al. J. Org. Chem., 59, 3064 (1994); Hamashima, Y. et al. J. Am. Chem. Soc., 124, 11240 (2002).

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5