Cas no 59557-04-9 (2-Hepten-2-ol (9CI))
2-Hepten-2-ol (9CI) structure
Product Name:2-Hepten-2-ol (9CI)
CAS No:59557-04-9
MF:C7H14O
MW:114.185462474823
CID:950324
PubChem ID:53424590
Update Time:2025-04-19
2-Hepten-2-ol (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Hepten-2-ol (9CI)
- hept-2-en-2-ol
- DB-261072
- Methylhexenol
- 59557-04-9
- 2-HEPTEN-2-OL
-
- Inchi： 1S/C7H14O/c1-3-4-5-6-7(2)8/h6,8H,3-5H2,1-2H3
- InChI Key： BMPQHCWCMWIDHD-UHFFFAOYSA-N
- SMILES： OC(C)=CCCCC
Computed Properties
- Exact Mass: 114.104465066g/mol
- Monoisotopic Mass: 114.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 74.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.6
- Topological Polar Surface Area: 20.2?2
2-Hepten-2-ol (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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