Cas no 6975-20-8 (dispiro[4.1.4.1]dodecane-6,12-diol)
6975-20-8 structure
Product Name:dispiro[4.1.4.1]dodecane-6,12-diol
CAS No:6975-20-8
MF:C12H20O2
MW:196.286004066467
CID:974178
PubChem ID:228904
Update Time:2025-04-19
dispiro[4.1.4.1]dodecane-6,12-diol Chemical and Physical Properties
Names and Identifiers
-
- dispiro[4.1.4.1]dodecane-6,12-diol
- dispiro[4.1.4<sup>7</sup>.1<sup>5</sup>]dodecane-6,12-diol
- DTXSID20281596
- NSC22086
- NSC-22086
- 6975-20-8
- SCHEMBL19628671
-
- Inchi: 1S/C12H20O2/c13-9-11(5-1-2-6-11)10(14)12(9)7-3-4-8-12/h9-10,13-14H,1-8H2
- InChI Key: UXTAELSTMMPOKP-UHFFFAOYSA-N
- SMILES: OC1C2(CCCC2)C(C21CCCC2)O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.17
- Boiling Point: 325.5°C at 760 mmHg
- Flash Point: 154.9°C
- Refractive Index: 1.563
- PSA: 40.46
- LogP: 1.84260
dispiro[4.1.4.1]dodecane-6,12-diol Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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