Cas no 93843-21-1 (Isoheptadecanal (9CI))
Isoheptadecanal (9CI) structure
Product Name:Isoheptadecanal (9CI)
CAS No:93843-21-1
MF:C17H34O
MW:254.45126581192
CID:813749
PubChem ID:11107909
Update Time:2025-04-19
Isoheptadecanal (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoheptadecanal (9CI)
- isoheptadecan-1-al
- DTXSID60917504
- SCHEMBL536858
- 93843-21-1
- EINECS 299-100-7
- 15-methylhexadecanal
-
- Inchi： 1S/C17H34O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18/h16-17H,3-15H2,1-2H3
- InChI Key： TWJWQMBBEAVIPZ-UHFFFAOYSA-N
- SMILES： O=CCCCCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 254.260965704g/mol
- Monoisotopic Mass: 254.260965704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 14
- Complexity: 163
- 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: 7.3
- Topological Polar Surface Area: 17.1?2
Isoheptadecanal (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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