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2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol - CAS 5416-55-7

Catalog:	BB028535
Product Name:	2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
CAS:	5416-55-7
Synonyms:	2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-ol
Description:	2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol (CAS# 5416-55-7 ) is a useful research chemical.
Molecular Weight:	220.26
Molecular Formula:	C10H20O5
Canonical SMILES:	C1CC(C(C(C1)(CO)CO)O)(CO)CO
InChI:	InChI=1S/C10H20O5/c11-4-9(5-12)2-1-3-10(6-13,7-14)8(9)15/h8,11-15H,1-7H2
InChI Key:	ICVIFRMLTBUBGF-UHFFFAOYSA-N
Boiling Point:	441.6 °C at 760 mmHg
Melting Point:	123-127 °C
Purity:	95 %
Density:	1.261 g/cm³
MDL:	MFCD00068234
LogP:	-1.52680

Publication Number	Title	Priority Date
US-2021317301-A1	Methods and compositions comprising polyhydroxyalkanoate polymer blends	20200410
WO-2021207700-A1	Methods and compositions comprising degradable polylactide polymer blends	20200410
US-2020339787-A1	Rubber composition and pneumatic tire	20190425
WO-2020198246-A1	Anti-microbial methods and materials	20190326
WO-2020198246-A9	Anti-microbial methods and materials	20190326

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.13107373
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	220.13107373
Rotatable Bond Count:	4
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3