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288386-61-8 | 3-Heptanone, 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-
CAS No: 288386-61-8 Catalog No: AG002WR0 MDL No:
Product Description
Catalog Number:
AG002WR0
Chemical Name:
3-Heptanone, 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-
CAS Number:
288386-61-8
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylheptan-3-one
InChI:
InChI=1S/C14H26O3/c1-6-7-8-11(15)13(2,3)12-9-10-16-14(4,5)17-12/h12H,6-10H2,1-5H3/t12-/m0/s1
InChI Key:
ADQVHPMMGAMGFP-LBPRGKRZSA-N
SMILES:
CCCCC(=O)C([C@@H]1CCOC(O1)(C)C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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