Cas no 51079-58-4 (1,6-Nonadien-3-ol, 7-ethyl-3-methyl-)
51079-58-4 structure
Product Name:1,6-Nonadien-3-ol, 7-ethyl-3-methyl-
CAS No:51079-58-4
MF:C12H22O
MW:182.302484035492
CID:363350
PubChem ID:21485139
Update Time:2025-04-19
1,6-Nonadien-3-ol, 7-ethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Nonadien-3-ol, 7-ethyl-3-methyl-
- 7-ethyl-3-methylnona-1,6-dien-3-ol
- 3-methyl-7-ethyl-1,6-nonadien-3-ol
- 51079-58-4
- DTXSID30614593
- 7-ethyl-3-methyl-1,6-nonadien-3-ol
- ZOCRDLIACZHKQC-UHFFFAOYSA-N
- SCHEMBL11708386
-
- Inchi： 1S/C12H22O/c1-5-11(6-2)9-8-10-12(4,13)7-3/h7,9,13H,3,5-6,8,10H2,1-2,4H3
- InChI Key： ZOCRDLIACZHKQC-UHFFFAOYSA-N
- SMILES： OC(C=C)(C)CC/C=C(\CC)/CC
Computed Properties
- Exact Mass: 182.16716
- Monoisotopic Mass: 182.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 176
- 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: 3.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1,6-Nonadien-3-ol, 7-ethyl-3-methyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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