Spiro[5.5]undecan-2-one - CAS 1781-81-3

Catalog:	BB057763
Product Name:	Spiro[5.5]undecan-2-one
CAS:	1781-81-3
Synonyms:	Spiro[5.5]undecan-2-one; spiro[5.5]undecan-4-one; SPIRO(5.5)UNDECAN-2-ONE; spiro[5.5]undecan-2-on

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	spiro[5.5]undecan-4-one
Description:	Spiro[5.5]undecan-2-one is used in the preparation of commonly encountered spirocyclic systems.
Molecular Weight:	166.26
Molecular Formula:	C11H18O
Canonical SMILES:	C1CCC2(CC1)CCCC(=O)C2
InChI:	InChI=1S/C11H18O/c12-10-5-4-8-11(9-10)6-2-1-3-7-11/h1-9H2
InChI Key:	FEYUTRZPSFLEST-UHFFFAOYSA-N
References:	Wender, P. A., et al. J. Am. Chem. Soc., 110, 2218 (1988); Wender, P. A., et al. Tetrahedron Lett., 14, 1245 (1977).

Publication Number	Title	Priority Date
WO-2020035031-A1	Fused ring compounds	20180816
AU-2019320945-A1	Fused ring compounds	20180816
CA-3086867-A1	Fused ring compounds as ras protein inhibitors	20180816
EP-3746436-A1	Fused ring compounds	20180816
KR-20200115549-A	Fused ring compound	20180816
TW-202035392-A	Fused ring compounds	20180816
AU-2019320945-B2	Fused ring compounds	20180816
AU-2019320945-C1	Fused ring compounds	20180816
AU-2021218206-A1	Fused ring compounds	20180816
BR-112021002772-A2	compounds, pharmaceutical compositions, method of treating cancer, methods of regulating the activity of a protein, for inhibiting the proliferation of a population of cells, for treating a disorder, for preparing a protein, for inhibiting tumor metastasis and for treating cancer and uses	20180816

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.135765193
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.135765193
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2