Cas no 475977-66-3 (2,3,4-Trimethylpentane-2,3-diol)
475977-66-3 structure
Product Name:2,3,4-Trimethylpentane-2,3-diol
CAS No:475977-66-3
MF:C8H18O2
MW:146.227323055267
CID:2645412
PubChem ID:23384765
Update Time:2025-04-21
2,3,4-Trimethylpentane-2,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4-trimethylpentane-2,3-diol
- 475977-66-3
- DTXCID20584276
- DTXSID50633524
- SCHEMBL8528064
- 2,3,4-Trimethylpentane-2,3-diol
-
- Inchi： 1S/C8H18O2/c1-6(2)8(5,10)7(3,4)9/h6,9-10H,1-5H3
- InChI Key： MBDRJLVHSPRDIC-UHFFFAOYSA-N
- SMILES： OC(C)(C(C)C)C(C)(C)O
Computed Properties
- Exact Mass: 146.130679813Da
- Monoisotopic Mass: 146.130679813Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 118
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 40.5?2
2,3,4-Trimethylpentane-2,3-diol Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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