Cas no 96850-33-8 (6,8-Nonacosanediol)
6,8-Nonacosanediol structure
Product Name:6,8-Nonacosanediol
CAS No:96850-33-8
MF:C29H60O2
MW:440.785510063171
CID:810552
PubChem ID:130335
Update Time:2025-04-19
6,8-Nonacosanediol Chemical and Physical Properties
Names and Identifiers
-
- 6,8-Nonacosanediol
- nonacosane-6,8-diol
- LMFA05000656
- erythro-6,8-Nonacosanediol
- 96850-33-8
- CHEBI:184752
- DTXSID00914279
- CHEMBL336634
- CCRIS 7244
- 6,8-dihydroxynonacosane
-
- Inchi： 1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h28-31H,3-27H2,1-2H3
- InChI Key： DAGYDJHSDMRWJX-UHFFFAOYSA-N
- SMILES： OC(CC(CCCCC)O)CCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 440.45933115g/mol
- Monoisotopic Mass: 440.45933115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 26
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.7
- Topological Polar Surface Area: 40.5?2
6,8-Nonacosanediol Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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