Cas no 17356-17-1 (1-Heptyn-3-ol,3-methyl-)
1-Heptyn-3-ol,3-methyl- structure
Product Name:1-Heptyn-3-ol,3-methyl-
CAS No:17356-17-1
MF:C8H14O
MW:126.196162700653
CID:122284
PubChem ID:3950510
Update Time:2025-04-18
1-Heptyn-3-ol,3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptyn-3-ol,3-methyl-
- 3-METHYL-1-HEPTYN-3-OL
- 3-methylhept-1-yn-3-ol
- 1-Heptyn-3-ol,3-methyl
- 2-ethynyl-2-hexanol
- 3-Methyl-hept-1-in-3-ol
- 3-methyl-hept-1-yn-3-ol
- BB_SC-2018
- Methylbutylacetylenylcarbinol
- FT-0726813
- AKOS005617511
- SCHEMBL978716
- 1-Heptyn-3-ol, 3-methyl-
- 3-methyl-1-heptyn-3-ol, AldrichCPR
- VS-08643
- CS-0316421
- 17356-17-1
- DTXSID50398181
-
- Inchi: 1S/C8H14O/c1-4-6-7-8(3,9)5-2/h2,9H,4,6-7H2,1,3H3
- InChI Key: KHKXRZKMAVADSE-UHFFFAOYSA-N
- SMILES: OC(C#C)(C)CCCC
Computed Properties
- Exact Mass: 126.10400
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 120
- 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: 1.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 1.56080
1-Heptyn-3-ol,3-methyl- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
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
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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