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8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile - CAS 65619-70-7

Name: 8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Brand: BOC Sciences
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Catalog:	BB032778
Product Name:	8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS:	65619-70-7
Synonyms:	8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile; 8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Description:	8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CAS# 65619-70-7 ) is a useful research chemical.
Molecular Weight:	257.33
Molecular Formula:	C16H19NO2
Canonical SMILES:	CC1=CC=CC(=C1)C2(CCC3(CC2)OCCO3)C#N
InChI:	InChI=1S/C16H19NO2/c1-13-3-2-4-14(11-13)15(12-17)5-7-16(8-6-15)18-9-10-19-16/h2-4,11H,5-10H2,1H3
InChI Key:	FPYOHXLXBSJGSP-UHFFFAOYSA-N
LogP:	3.07348

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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Publication Number	Title	Priority Date
JP-2587902-B2	Novel 1-phenylbicyclo [2.2.2] octane derivatives, processes for their preparation and pharmaceutical compositions containing these compounds	19921124
JP-H06228044-A	Novel 1-phenylbicyclo [2.2.2] octane derivative, production method thereof and pharmaceutical composition containing the compound	19921124
US-5403953-A	1-phenylbicyclo[2.2.2]octane compounds	19921124

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.141578849
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.141578849
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5