CAS 6282-60-6

1 2D Structure

CAS 6282-60-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-butyl-3-ethyl-1,5-dioxaspiro[5.5]undecane

2.1.2 InChI

InChI=1S/C15H28O2/c1-3-5-9-14(4-2)12-16-15(17-13-14)10-7-6-8-11-15/h3-13H2,1-2H3

2.1.3 InChI Key

MQMJSIDAUWCUJP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1(COC2(CCCCC2)OC1)CC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6282-60-6

2. Nsc7059

3. Dtxsid50278358

4. Nsc-7059

5. Zinc1566575

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₈O₂
Molecular Weight	240.38 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	18.5
Heavy Atom Count	17
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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