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2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid diethyl ester

2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid diethyl ester - CAS 738606-43-4

Catalog:	BB044301
Product Name:	2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid diethyl ester
CAS:	738606-43-4
Synonyms:	Pentadecanedioic acid, 2,2,14,14-tetramethyl-8-oxo-, diethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
Description:	2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid diethyl ester (CAS# 738606-43-4 ) is a useful research chemical.
Molecular Weight:	398.6
Molecular Formula:	C23H42O5
Canonical SMILES:	CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC
InChI:	InChI=1S/C23H42O5/c1-7-27-20(25)22(3,4)17-13-9-11-15-19(24)16-12-10-14-18-23(5,6)21(26)28-8-2/h7-18H2,1-6H3
InChI Key:	LDURYVDWYUCWGK-UHFFFAOYSA-N

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Related Functional Groups

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Benzofuran/Benzothiophene

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Spiro Compounds

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H362 (33.33%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]; H373 (66.67%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H413 (33.33%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	437
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	398.30322444
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	398.30322444
Rotatable Bond Count:	18
Topological Polar Surface Area:	69.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7