Cas no 38514-13-5 (1-Pentanol, 3-ethyl-4-methyl-)
1-Pentanol, 3-ethyl-4-methyl- structure
Product Name:1-Pentanol, 3-ethyl-4-methyl-
CAS No:38514-13-5
MF:C8H18O
MW:130.227922916412
CID:1490101
PubChem ID:549664
Update Time:2025-04-21
1-Pentanol, 3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanol, 3-ethyl-4-methyl-
- 3-Ethyl-4-methyl-1-pentanol
- MFCD30247932
- 3-Isopropyl-1-pentanol
- 3-ethyl-4-methylpentanol
- SY310603
- SCHEMBL4400624
- 38514-13-5
- 3-ethyl-4-methylpentan-1-ol
- RWIFVESHBHTZEM-UHFFFAOYSA-N
- G66221
-
- Inchi： 1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3
- InChI Key： RWIFVESHBHTZEM-UHFFFAOYSA-N
- SMILES： OCCC(CC)C(C)C
Computed Properties
- Exact Mass: 130.13584
- Monoisotopic Mass: 130.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 59.6
- 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: 2.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Pentanol, 3-ethyl-4-methyl- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
38514-13-5 (1-Pentanol, 3-ethyl-4-methyl-) Related Products
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