Cas no 6126-57-4 (1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-ol)
6126-57-4 structure
Product Name:1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-ol
CAS No:6126-57-4
MF:C11H20O3
MW:200.274703979492
CID:954246
PubChem ID:265137
Update Time:2025-04-19
1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-ol
- 1-(1,4-dioxa-spiro[4.5]dec-6-yl)-propan-2-ol; AR-1A9813; AC1Q6ZOU; NSC100958; CTK5B2959; 2-(2'-Hydroxypropyl)cyclohexanon-ketal; AC1L6DB7; KST-1B6271; 2-(2-Hydroxy-propyl)-cyclohexanon-aethylenketal; AG-J-20402; 1-(1,4-dioxaspiro[4.5]dec-6-yl)propan-2-ol;
- 1-(1,4-dioxaspiro[4.5]dec-6-yl)propan-2-ol
- DTXSID30295285
- NSC100958
- 6126-57-4
- NSC-100958
-
- Inchi: 1S/C11H20O3/c1-9(12)8-10-4-2-3-5-11(10)13-6-7-14-11/h9-10,12H,2-8H2,1H3
- InChI Key: FTMZZHOTZHYEFT-UHFFFAOYSA-N
- SMILES: O1CCOC21CCCCC2CC(C)O
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 187
- 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: 1.4
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-ol Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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