Cas no 51367-70-5 (Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl-)
51367-70-5 structure
Product Name:Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl-
CAS No:51367-70-5
MF:C14H26O
MW:210.355644702911
CID:381100
PubChem ID:6452426
Update Time:2025-04-19
Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl-
- 3-(4-tert-butylcyclohexyl)-2-methylpropanal
- 4-(tert-butyl)-alpha-methylcyclohexanepropionaldehyde
- EINECS 257-157-5
- 51367-70-5
- SCHEMBL6356842
- DTXSID90965654
- NS00056479
-
- Inchi： 1S/C14H26O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h10-13H,5-9H2,1-4H3
- InChI Key： NIBKYVCIGOGNON-UHFFFAOYSA-N
- SMILES： O=CC(C)CC1CCC(CC1)C(C)(C)C
Computed Properties
- Exact Mass: 210.198365
- Monoisotopic Mass: 210.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 0.872
- Boiling Point: 280.1°C at 760 mmHg
- Flash Point: 125.7°C
- Refractive Index: 1.448
Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
51367-70-5 (Cyclohexanepropanal,4-(1,1-dimethylethyl)-a-methyl-) Related Products
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