Cas no 102439-64-5 (1,5-Pentanediol, 3-methyl-3-propyl-)
102439-64-5 structure
Product Name:1,5-Pentanediol, 3-methyl-3-propyl-
CAS No:102439-64-5
MF:C9H20O2
MW:160.253903388977
CID:1134131
PubChem ID:13928740
Update Time:2025-04-20
1,5-Pentanediol, 3-methyl-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Pentanediol, 3-methyl-3-propyl-
- 3-methyl-3-propylpentane-1,5-diol
- 102439-64-5
- SCHEMBL1099637
- DTXSID50552701
-
- Inchi： 1S/C9H20O2/c1-3-4-9(2,5-7-10)6-8-11/h10-11H,3-8H2,1-2H3
- InChI Key： ZYMZOXYWJVZUES-UHFFFAOYSA-N
- SMILES： OCCC(C)(CCO)CCC
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 85.6
- 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: 1.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,5-Pentanediol, 3-methyl-3-propyl- Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
102439-64-5 (1,5-Pentanediol, 3-methyl-3-propyl-) Related Products
- 4457-71-0(3-Methyl-1,5-pentanediol)
- 626-89-1(4-Methyl-1-pentanol)
- 3452-97-9(3,5,5-Trimethyl-1-hexanol)
- 68526-85-2(8-Methylnonan-1-ol)
- 36311-34-9(Isohexadecanol)
- 27458-93-1(Isostearylalcohol)
- 27458-94-2(Isononyl alcohol)
- 25339-17-7(isodecyl alcohol)
- 6240-11-5(1-Adamantaneethanol)
- 624-95-3(3,3-Dimethyl-1-butanol)
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
