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Home > Other Heterocycles > 140896-14-6
140896-14-6 | 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)-
CAS No: 140896-14-6 Catalog No: AG006ZAV MDL No:
Product Description
Catalog Number:
AG006ZAV
Chemical Name:
1-Penten-3-one, 2-methyl-1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)-
CAS Number:
140896-14-6
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2-methyl-1-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pent-1-en-3-one
InChI:
InChI=1S/C16H26O/c1-6-15(17)10(2)7-12-8-13-9-14(11(12)3)16(13,4)5/h7,11-14H,6,8-9H2,1-5H3
InChI Key:
KGZBXEKKIHCSKJ-UHFFFAOYSA-N
SMILES:
CCC(=O)C(=CC1CC2CC(C1C)C2(C)C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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