1-Cyclopentylethanol - CAS 52829-98-8

Catalog:	BB027959
Product Name:	1-Cyclopentylethanol
CAS:	52829-98-8
Synonyms:	1-cyclopentylethanol; 1-cyclopentylethanol

Technical Data

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Computed Properties

IUPAC Name:	1-cyclopentylethanol
Description:	1-Cyclopentylethanol (CAS# 52829-98-8) is a useful research chemical compound.
Molecular Weight:	114.19
Molecular Formula:	C7H14O
Canonical SMILES:	CC(C1CCCC1)O
InChI:	InChI=1S/C7H14O/c1-6(8)7-4-2-3-5-7/h6-8H,2-5H2,1H3
InChI Key:	WPCMSUSLCWXTKB-UHFFFAOYSA-N
Boiling Point:	175.8 °C at 760 mmHg
Density:	0.911 g/cm³
LogP:	1.55740

Publication Number	Title	Priority Date
WO-2021069721-A1	Atf6 modulators and uses thereof	20191009
WO-2021049819-A1	Novel compound and organic light-emitting device comprising same	20190911
WO-2020058009-A1	Diaminotriazine compounds	20180918
US-2021186021-A1	Diaminotriazine compounds	20180918
WO-2019198591-A1	Composition for cladding, and method for producing metal/resin bonded member	20180413

PMID	Publication Date	Title	Journal
19432413	20090605	Investigation of cyclization reactions of dicyclohexyl-6-iodo- and -6-tosylhexenylborane. A facile radical cyclization diverted to a rearrangement-cyclization with base	The Journal of organic chemistry

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Complexity:	64.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.104465066
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8