trans-2-Ethynylcyclopentanol - CAS 61967-50-8

Catalog:	BB031356
Product Name:	trans-2-Ethynylcyclopentanol
CAS:	61967-50-8
Synonyms:	(1R,2S)-2-ethynyl-1-cyclopentanol; (1R,2S)-2-ethynylcyclopentan-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1R,2S)-2-ethynylcyclopentan-1-ol
Description:	trans-2-Ethynylcyclopentanol (CAS# 61967-50-8 ) is a useful research chemical.
Molecular Weight:	110.15
Molecular Formula:	C7H10O
Canonical SMILES:	C#CC1CCCC1O
InChI:	InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2/t6-,7-/m1/s1
InChI Key:	JRZIIUSKYKGRDH-RNFRBKRXSA-N
LogP:	0.78060

Publication Number	Title	Priority Date
US-4132738-A	Preparation of 15-deoxy-16-hydroxyprostaglandins	19780223
US-4275224-A	15-Deoxy-16-hydroxy prostaglandins	19780223
US-4331688-A	Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins	19780223
US-4415592-A	15-Deoxy-16-hydroxy prostaglandins for producing bronchodilation	19780223
US-4742080-A	Therapeutic method for producing bronchodilation by administration of 15-deoxy-16-hydroxy prostaglandin esters	19780223

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Related Functional Groups

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	110.073164938
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8