Cas no 61478-22-6 (4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]-)
![4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/61500/61478-22-6x500.png)
61478-22-6 structure
Product Name:4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]-
CAS No:61478-22-6
MF:C12H26O2
MW:202.333644390106
CID:477917
PubChem ID:71395475
Update Time:2025-04-19
4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]-
- 3-[(2-methylpropan-2-yl)oxymethyl]heptan-4-ol
- DTXSID50817089
- 3-(tert-Butoxymethyl)heptan-4-ol
- 61478-22-6
-
- Inchi： 1S/C12H26O2/c1-6-8-11(13)10(7-2)9-14-12(3,4)5/h10-11,13H,6-9H2,1-5H3
- InChI Key： SLHORPDULBAQSE-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)CC(CC)C(CCC)O
Computed Properties
- Exact Mass: 202.19338
- Monoisotopic Mass: 202.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
4-Heptanol, 3-[(1,1-dimethylethoxy)methyl]- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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