Cas no 3316-11-8 (1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl-)
3316-11-8 structure
Product Name:1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl-
CAS No:3316-11-8
MF:C18H26O4
MW:306.396646022797
CID:1455470
PubChem ID:558015
Update Time:2025-04-20
1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl-
- 3316-11-8
- 1,1-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)ethane
- FCDITYROBVWZOO-UHFFFAOYSA-N
- DTXSID10339712
-
- Inchi： 1S/C18H26O4/c1-10(15-11(19)6-17(2,3)7-12(15)20)16-13(21)8-18(4,5)9-14(16)22/h10,15-16H,6-9H2,1-5H3
- InChI Key： FCDITYROBVWZOO-UHFFFAOYSA-N
- SMILES： O=C1CC(C)(C)CC(C1C(C)C1C(CC(C)(C)CC1=O)=O)=O
Computed Properties
- Exact Mass: 306.18318
- Monoisotopic Mass: 306.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 453
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
1,3-Cyclohexanedione, 2,2'-ethylidenebis[5,5-dimethyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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