Cas no 54460-99-0 (4-Ethyl-2,6-dimethyl-4-heptanol)
54460-99-0 structure
Product Name:4-Ethyl-2,6-dimethyl-4-heptanol
CAS No:54460-99-0
MF:C11H24O
MW:172.307663917542
CID:2187390
PubChem ID:575333
Update Time:2025-04-21
4-Ethyl-2,6-dimethyl-4-heptanol Chemical and Physical Properties
Names and Identifiers
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- 4-Ethyl-2,6-dimethyl-4-heptanol
- 4-ethyl-2,6-dimethylheptan-4-ol
- 4-Heptanol, 4-ethyl-2,6-dimethyl-
- 54460-99-0
- DB-316567
- 2,6-dimethyl-4-ethyl-4-heptanol
- DTXSID60341724
- 4-Ethyl-2,6-dimethyl-4-heptanol #
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- Inchi: 1S/C11H24O/c1-6-11(12,7-9(2)3)8-10(4)5/h9-10,12H,6-8H2,1-5H3
- InChI Key: FHFITCYHABMGHH-UHFFFAOYSA-N
- SMILES: OC(CC)(CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 172.182715385Da
- Monoisotopic Mass: 172.182715385Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 106
- 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: 3.7
- Topological Polar Surface Area: 20.2?2
4-Ethyl-2,6-dimethyl-4-heptanol 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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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