Dimethylcyclohexylethoxy Isobutylpropanoate

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CAS Number

141773-73-1

Synonyms

[2-[1- (3,3-dimethylcyclohexyl) ethoxy]-2-methylpropyl] propanoate

Purity

90% ()

Smiles

CCC (=O) OCC (C) (C) OC (C) C1CCCC (C1) (C) C

Chemical Information

1-Propanol, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methyl-, 1-propanoate

CAS Number	141773-73-1
PubChem CID	16063567
IUPAC Name	[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] propanoate
Molecular Formula	C17H32O3
Molecular Weight	284.4
XLogP	4.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	320

SMILES

CCC(=O)OCC(C)(C)OC(C)C1CCCC(C1)(C)C

InChI

InChI=1S/C17H32O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h13-14H,7-12H2,1-6H3

InChIKey

LSTSBZKIQFOPHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141773-73-1

CID: 16063567

Formula: C17H32O3

MW: 284.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	284.23514488
Monoisotopic Mass	284.23514488
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes