Cas no 29044-06-2 (2-Methylhexane-2,5-diol)
2-Methylhexane-2,5-diol structure
Product Name:2-Methylhexane-2,5-diol
CAS No:29044-06-2
MF:C7H16O2
MW:132.200742721558
MDL:MFCD21924454
CID:2355718
PubChem ID:13172503
Update Time:2025-04-21
2-Methylhexane-2,5-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-methylhexane-2,5-diol
- DTXSID00524594
- AKOS017977706
- 29044-06-2
- KZWQVDXGMOSSNY-UHFFFAOYSA-N
- SCHEMBL755307
- DTXCID40475399
- 2-Methylhexane-2,5-diol
-
- MDL： MFCD21924454
- Inchi： 1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3
- InChI Key： KZWQVDXGMOSSNY-UHFFFAOYSA-N
- SMILES： OC(C)(C)CCC(C)O
Computed Properties
- Exact Mass: 132.115029749Da
- Monoisotopic Mass: 132.115029749Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 79
- 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: 0.6
- Tautomer Count: nothing
- Surface Charge: 0
- Topological Polar Surface Area: 40.5?2
2-Methylhexane-2,5-diol Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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