Cas no 5561-13-7 (Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1S,2R,3S,6R)-)
5561-13-7 structure
Product Name:Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1S,2R,3S,6R)-
CAS No:5561-13-7
MF:C10H18O
MW:154.249323368073
CID:351390
PubChem ID:11040909
Update Time:2025-04-19
Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1S,2R,3S,6R)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1S,2R,3S,6R)-
- (1R,4S,5R,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-5-ol
- 5561-13-7
- DTXSID60452905
- CTK1F6473
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- Inchi: 1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1
- InChI Key: RPPLFPVIBFQGJC-JQCXWYLXSA-N
- SMILES: O[C@@H]1[C@@H](C)CC[C@H]2C(C)(C)[C@H]21
Computed Properties
- Exact Mass: 154.13584
- Monoisotopic Mass: 154.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1S,2R,3S,6R)- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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