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93840-83-6 | ALPHA-ETHYL-2,2,3-TRIMETHYLCYCLOPENTANEBUTYRALDEHYDE
CAS No: 93840-83-6 Catalog No: AG006CU4 MDL No:
Product Description
Catalog Number:
AG006CU4
Chemical Name:
ALPHA-ETHYL-2,2,3-TRIMETHYLCYCLOPENTANEBUTYRALDEHYDE
CAS Number:
93840-83-6
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
2-ethyl-4-(2,2,3-trimethylcyclopentyl)butanal
InChI:
InChI=1S/C14H26O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h10-13H,5-9H2,1-4H3
InChI Key:
LDPXLNHUUPMBJF-UHFFFAOYSA-N
SMILES:
CCC(CCC1CCC(C1(C)C)C)C=O
EC Number:
298-950-6
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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